GB 23200.113-2018 Group A 117 Pesticides 10 µg/mL in Ethyl acetate
Product Code
DRE-A50000092EA
CAS Number
117 AnalytesProduct Format
Mixture
Solvent
Ethyl acetate
Lot Number
2-G520417EA
Expiry
2025-11-21
Regulatory Method
GB 23200.113-2018
Documentation
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Product Information
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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Molecular Formula
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Melting Point
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SMILES
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InChI
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IUPAC
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(+)-trans-Permethrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H20 Cl2 O3
Molecular Weight
391.29
Accurate Mass
390.0789
SMILES
CC1(C)[C@H](C=C(Cl)Cl)[C@H]1C(=O)OCc2cccc(Oc3ccccc3)c2
InChI
InChI=1S/C21H20Cl2O3/c1-21(2)17(12-18(22)23)19(21)20(24)25-13-14-7-6-10-16(11-14)26-15-8-4-3-5-9-15/h3-12,17,19H,13H2,1-2H3/t17-,19+/m1/s1
IUPAC
(3-phenoxyphenyl)methyl (1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
2,4'-DDD
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H10 Cl4
Molecular Weight
320.04
Accurate Mass
317.9537
SMILES
ClC1=CC=C(C=C1)C(C=2C=CC=CC2Cl)C(Cl)Cl
InChI
InChI=1S/C14H10Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8,13-14H
IUPAC
1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
2,4'-DDE
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H8 Cl4
Molecular Weight
318.03
Accurate Mass
315.938
SMILES
ClC(=C(c1ccc(Cl)cc1)c2ccccc2Cl)Cl
InChI
InChI=1S/C14H8Cl4/c15-10-7-5-9(6-8-10)13(14(17)18)11-3-1-2-4-12(11)16/h1-8H
IUPAC
1-chloro-2-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
2,4'-DDT
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H9 Cl5
Molecular Weight
354.49
Accurate Mass
351.9147
SMILES
Clc1ccc(cc1)C(c2ccccc2Cl)C(Cl)(Cl)Cl
InChI
InChI=1S/C14H9Cl5/c15-10-7-5-9(6-8-10)13(14(17,18)19)11-3-1-2-4-12(11)16/h1-8,13H
IUPAC
1-chloro-2-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
4,4'-DDD
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H10 Cl4
Molecular Weight
320.04
Accurate Mass
317.9537
SMILES
ClC(Cl)C(c1ccc(Cl)cc1)c2ccc(Cl)cc2
InChI
InChI=1S/C14H10Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8,13-14H
IUPAC
1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethyl]benzene
4,4'-DDE
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H8 Cl4
Molecular Weight
318.03
Accurate Mass
315.938
SMILES
ClC(=C(c1ccc(Cl)cc1)c2ccc(Cl)cc2)Cl
InChI
InChI=1S/C14H8Cl4/c15-11-5-1-9(2-6-11)13(14(17)18)10-3-7-12(16)8-4-10/h1-8H
IUPAC
1-chloro-4-[2,2-dichloro-1-(4-chlorophenyl)ethenyl]benzene
4,4'-DDT
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H9 Cl5
Molecular Weight
354.49
Accurate Mass
351.9147
SMILES
Clc1ccc(cc1)C(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
InChI
InChI=1S/C14H9Cl5/c15-11-5-1-9(2-6-11)13(14(17,18)19)10-3-7-12(16)8-4-10/h1-8,13H
IUPAC
1-chloro-4-[2,2,2-trichloro-1-(4-chlorophenyl)ethyl]benzene
Acephate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H10 N O3 P S
Molecular Weight
183.17
Accurate Mass
183.0119
SMILES
COP(=O)(NC(=O)C)SC
InChI
InChI=1S/C4H10NO3PS/c1-4(6)5-9(7,8-2)10-3/h1-3H3,(H,5,6,7)
IUPAC
N-[methoxy(methylsulfanyl)phosphoryl]acetamide
Acetochlor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H20 Cl N O2
Molecular Weight
269.77
Accurate Mass
269.1183
SMILES
CCOCN(C(=O)CCl)c1c(C)cccc1CC
InChI
InChI=1S/C14H20ClNO2/c1-4-12-8-6-7-11(3)14(12)16(10-18-5-2)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
IUPAC
2-chloro-N-(ethoxymethyl)-N-(2-ethyl-6-methylphenyl)acetamide
Aclonifen
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H9 Cl N2 O3
Molecular Weight
264.66
Accurate Mass
264.0302
SMILES
Nc1c(Cl)c(Oc2ccccc2)ccc1[N+](=O)[O-]
InChI
InChI=1S/C12H9ClN2O3/c13-11-10(18-8-4-2-1-3-5-8)7-6-9(12(11)14)15(16)17/h1-7H,14H2
IUPAC
2-chloro-6-nitro-3-phenoxyaniline
Alachlor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H20 Cl N O2
Molecular Weight
269.77
Accurate Mass
269.1183
SMILES
CCc1cccc(CC)c1N(COC)C(=O)CCl
InChI
InChI=1S/C14H20ClNO2/c1-4-11-7-6-8-12(5-2)14(11)16(10-18-3)13(17)9-15/h6-8H,4-5,9-10H2,1-3H3
IUPAC
2-chloro-N-(2,6-diethylphenyl)-N-(methoxymethyl)acetamide
Allethrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H26 O3
Molecular Weight
302.41
Accurate Mass
302.1882
SMILES
CC(=CC1C(C(=O)OC2CC(=O)C(=C2C)CC=C)C1(C)C)C
InChI
InChI=1S/C19H26O3/c1-7-8-13-12(4)16(10-15(13)20)22-18(21)17-14(9-11(2)3)19(17,5)6/h7,9,14,16-17H,1,8,10H2,2-6H3
IUPAC
(2-methyl-4-oxo-3-prop-2-enylcyclopent-2-en-1-yl) 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
alpha-Endosulfan
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H6 Cl6 O3 S
Molecular Weight
406.93
Accurate Mass
403.8169
SMILES
ClC1=C(Cl)[C@@]2(Cl)[C@H]3CO[S@@](=O)OC[C@H]3[C@]1(Cl)C2(Cl)Cl
InChI
InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19+
IUPAC
(3a,5aß,6a,9a,9aß)-6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3-oxide
alpha-HCH
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H6 Cl6
Molecular Weight
290.83
Accurate Mass
287.8601
SMILES
Cl[C@@H]1[C@@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl
InChI
InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4-,5+,6+/m0/s1
IUPAC
1,2,3,4,5,6-hexachlorocyclohexane
Anilofos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H19 Cl N O3 P S2
Molecular Weight
367.85
Accurate Mass
367.0232
SMILES
COP(=S)(OC)SCC(=O)N(C(C)C)c1ccc(Cl)cc1
InChI
InChI=1S/C13H19ClNO3PS2/c1-10(2)15(12-7-5-11(14)6-8-12)13(16)9-21-19(20,17-3)18-4/h5-8,10H,9H2,1-4H3
IUPAC
N-(4-chlorophenyl)-2-dimethoxyphosphinothioylsulfanyl-N-propan-2-ylacetamide
Atrazine-desethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H10 Cl N5
Molecular Weight
187.63
Accurate Mass
187.0625
SMILES
CC(C)Nc1nc(N)nc(Cl)n1
InChI
InChI=1S/C6H10ClN5/c1-3(2)9-6-11-4(7)10-5(8)12-6/h3H,1-2H3,(H3,8,9,10,11,12)
IUPAC
6-chloro-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
beta-Endosulfan
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H6 Cl6 O3 S
Molecular Weight
406.93
Accurate Mass
403.8169
SMILES
ClC1=C(Cl)[C@@]2(Cl)[C@H]3CO[S@](=O)OC[C@H]3[C@]1(Cl)C2(Cl)Cl
InChI
InChI=1S/C9H6Cl6O3S/c10-5-6(11)8(13)4-2-18-19(16)17-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3-,4+,7-,8+,19-
IUPAC
(3a,5aa,6ß,9ß,9aa)-6,7,8,9,10,10-hexachloro-1,5,5a,6,9,9a-hexahydro-6,9-methano-2,4,3-benzodioxathiepin 3-oxide
beta-HCH
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H6 Cl6
Molecular Weight
290.83
Accurate Mass
287.8601
SMILES
Cl[C@@H]1[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H]1Cl
InChI
InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3+,4+,5-,6-
IUPAC
1,2,3,4,5,6-hexachlorocyclohexane
Bifenthrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C23 H22 Cl F3 O2
Molecular Weight
422.87
Accurate Mass
422.126
SMILES
Cc1c(COC(=O)[C@H]2[C@@H](\C=C(/Cl)\C(F)(F)F)C2(C)C)cccc1c3ccccc3
InChI
InChI=1S/C23H22ClF3O2/c1-14-16(10-7-11-17(14)15-8-5-4-6-9-15)13-29-21(28)20-18(22(20,2)3)12-19(24)23(25,26)27/h4-12,18,20H,13H2,1-3H3/b19-12-/t18-,20-/m1/s1
IUPAC
(2-methyl-3-phenylphenyl)methyl (1S,3S)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
Boscalid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H12 Cl2 N2 O
Molecular Weight
343.21
Accurate Mass
342.0327
SMILES
Clc1ccc(cc1)c2ccccc2NC(=O)c3cccnc3Cl
InChI
InChI=1S/C18H12Cl2N2O/c19-13-9-7-12(8-10-13)14-4-1-2-6-16(14)22-18(23)15-5-3-11-21-17(15)20/h1-11H,(H,22,23)
IUPAC
2-chloro-N-[2-(4-chlorophenyl)phenyl]pyridine-3-carboxamide
Bromacil
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C9 H13 Br N2 O2
Molecular Weight
261.12
Accurate Mass
260.016
SMILES
CCC(C)N1C(=O)NC(=C(Br)C1=O)C
InChI
InChI=1S/C9H13BrN2O2/c1-4-5(2)12-8(13)7(10)6(3)11-9(12)14/h5H,4H2,1-3H3,(H,11,14)
IUPAC
5-bromo-3-butan-2-yl-6-methyl-1H-pyrimidine-2,4-dione
Bromfenvinphos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H14 Br Cl2 O4 P
Molecular Weight
404.02
Accurate Mass
401.919
SMILES
CCOP(=O)(OCC)O\C(=C\Br)\c1ccc(Cl)cc1Cl
InChI
InChI=1S/C12H14BrCl2O4P/c1-3-17-20(16,18-4-2)19-12(8-13)10-6-5-9(14)7-11(10)15/h5-8H,3-4H2,1-2H3/b12-8+
IUPAC
[(E)-2-bromo-1-(2,4-dichlorophenyl)ethenyl] diethyl phosphate
Bromophos-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H8 Br Cl2 O3 P S
Molecular Weight
366.00
Accurate Mass
363.8492
SMILES
COP(=S)(OC)Oc1cc(Cl)c(Br)cc1Cl
InChI
InChI=1S/C8H8BrCl2O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3
IUPAC
(4-bromo-2,5-dichlorophenoxy)-dimethoxy-sulfanylidene-?^{5}-phosphane
Bromopropylate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H16 Br2 O3
Molecular Weight
428.12
Accurate Mass
425.9466
SMILES
CC(C)OC(=O)C(O)(c1ccc(Br)cc1)c2ccc(Br)cc2
InChI
InChI=1S/C17H16Br2O3/c1-11(2)22-16(20)17(21,12-3-7-14(18)8-4-12)13-5-9-15(19)10-6-13/h3-11,21H,1-2H3
IUPAC
propan-2-yl 2,2-bis(4-bromophenyl)-2-hydroxyacetate
Bupirimate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H24 N4 O3 S
Molecular Weight
316.42
Accurate Mass
316.1569
SMILES
CCCCc1c(C)nc(NCC)nc1OS(=O)(=O)N(C)C
InChI
InChI=1S/C13H24N4O3S/c1-6-8-9-11-10(3)15-13(14-7-2)16-12(11)20-21(18,19)17(4)5/h6-9H2,1-5H3,(H,14,15,16)
IUPAC
[5-butyl-2-(ethylamino)-6-methylpyrimidin-4-yl] N,N-dimethylsulfamate
Carbophenothion
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H16 Cl O2 P S3
Molecular Weight
342.87
Accurate Mass
341.9739
SMILES
CCOP(=S)(OCC)SCSc1ccc(Cl)cc1
InChI
InChI=1S/C11H16ClO2PS3/c1-3-13-15(16,14-4-2)18-9-17-11-7-5-10(12)6-8-11/h5-8H,3-4,9H2,1-2H3
IUPAC
(4-chlorophenyl)sulfanylmethylsulfanyl-diethoxy-sulfanylidene-?^{5}-phosphane
Chlorthiophos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11H15Cl2O3PS2
Molecular Weight
361.24
Accurate Mass
359.96
SMILES
ClC1=C(OP(OCC)(OCC)=S)C=C(Cl)C(SC)=C1
InChI
InChI=1S/C11H15Cl2O3PS2/c1-4-14-17(18,15-5-2)16-10-6-9(13)11(19-3)7-8(10)12/h6-7H,4-5H2,1-3H3
IUPAC
O-(2,5-dichloro-4-(methylthio)phenyl) O,O-diethyl phosphorothioate
Cycloate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H21 N O S
Molecular Weight
215.36
Accurate Mass
215.1344
SMILES
CCSC(=O)N(CC)C1CCCCC1
InChI
InChI=1S/C11H21NOS/c1-3-12(11(13)14-4-2)10-8-6-5-7-9-10/h10H,3-9H2,1-2H3
IUPAC
S-ethyl N-cyclohexyl-N-ethylcarbamothioate
Cyflufenamid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H17 F5 N2 O2
Molecular Weight
412.35
Accurate Mass
412.121
SMILES
Fc1ccc(c(\C(=N\OCC2CC2)\NC(=O)Cc3ccccc3)c1F)C(F)(F)F
InChI
InChI=1S/C20H17F5N2O2/c21-15-9-8-14(20(23,24)25)17(18(15)22)19(27-29-11-13-6-7-13)26-16(28)10-12-4-2-1-3-5-12/h1-5,8-9,13H,6-7,10-11H2,(H,26,27,28)
IUPAC
N-[(Z)-N-(cyclopropylmethoxy)-C-[2,3-difluoro-6-(trifluoromethyl)phenyl]carbonimidoyl]-2-phenylacetamide
Cypermethrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H19 Cl2 N O3
Molecular Weight
415.07
Accurate Mass
415.0742
SMILES
CC1(C)C(C=C(Cl)Cl)C1C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2
InChI
InChI=1S/C22H19Cl2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3
IUPAC
[cyano-(3-phenoxyphenyl)methyl] 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
delta-HCH
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H6 Cl6
Molecular Weight
290.83
Accurate Mass
287.8601
SMILES
Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@@H](Cl)[C@@H]1Cl
InChI
InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5-,6-
IUPAC
1,2,3,4,5,6-hexachlorocyclohexane
Deltamethrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H19 Br2 N O3
Molecular Weight
505.20
Accurate Mass
502.9732
SMILES
CC1(C)[C@@H](C=C(Br)Br)[C@H]1C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2
InChI
InChI=1S/C22H19Br2NO3/c1-22(2)17(12-19(23)24)20(22)21(26)28-18(13-25)14-7-6-10-16(11-14)27-15-8-4-3-5-9-15/h3-12,17-18,20H,1-2H3/t17-,18+,20-/m0/s1
IUPAC
[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
Dichlobenil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H3 Cl2 N
Molecular Weight
172.01
Accurate Mass
170.9643
SMILES
Clc1cccc(Cl)c1C#N
InChI
InChI=1S/C7H3Cl2N/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
IUPAC
2,6-dichlorobenzonitrile
Dichlofenthion
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H13 Cl2 O3 P S
Molecular Weight
315.15
Accurate Mass
313.97
SMILES
CCOP(=S)(OCC)Oc1ccc(Cl)cc1Cl
InChI
InChI=1S/C10H13Cl2O3PS/c1-3-13-16(17,14-4-2)15-10-6-5-8(11)7-9(10)12/h5-7H,3-4H2,1-2H3
IUPAC
(2,4-dichlorophenoxy)-diethoxy-sulfanylidene-?^{5}-phosphane
Dichlorvos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H7 Cl2 O4 P
Molecular Weight
220.98
Accurate Mass
219.9459
SMILES
COP(=O)(OC)OC=C(Cl)Cl
InChI
InChI=1S/C4H7Cl2O4P/c1-8-11(7,9-2)10-3-4(5)6/h3H,1-2H3
IUPAC
2,2-dichloroethenyl dimethyl phosphate
Dicloran
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Cl2 N2 O2
Molecular Weight
207.01
Accurate Mass
205.965
SMILES
Nc1c(Cl)cc(cc1Cl)[N+](=O)[O-]
InChI
InChI=1S/C6H4Cl2N2O2/c7-4-1-3(10(11)12)2-5(8)6(4)9/h1-2H,9H2
IUPAC
2,6-dichloro-4-nitroaniline
Dicofol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H9 Cl5 O
Molecular Weight
370.49
Accurate Mass
367.9096
SMILES
OC(c1ccc(Cl)cc1)(c2ccc(Cl)cc2)C(Cl)(Cl)Cl
InChI
InChI=1S/C14H9Cl5O/c15-11-5-1-9(2-6-11)13(20,14(17,18)19)10-3-7-12(16)8-4-10/h1-8,20H
IUPAC
2,2,2-trichloro-1,1-bis(4-chlorophenyl)ethanol
Dimethoate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H12 N O3 P S2
Molecular Weight
229.26
Accurate Mass
228.9996
SMILES
CNC(=O)CSP(=S)(OC)OC
InChI
InChI=1S/C5H12NO3PS2/c1-6-5(7)4-12-10(11,8-2)9-3/h4H2,1-3H3,(H,6,7)
IUPAC
2-dimethoxyphosphinothioylsulfanyl-N-methylacetamide
Dioxathion
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H26 O6 P2 S4
Molecular Weight
456.54
Accurate Mass
456.0087
SMILES
CCOP(=S)(OCC)SC1OCCOC1SP(=S)(OCC)OCC
InChI
InChI=1S/C12H26O6P2S4/c1-5-15-19(21,16-6-2)23-11-12(14-10-9-13-11)24-20(22,17-7-3)18-8-4/h11-12H,5-10H2,1-4H3
IUPAC
(3-diethoxyphosphinothioylsulfanyl-1,4-dioxan-2-yl)sulfanyl-diethoxy-sulfanylidene-?^{5}-phosphane
Ditalimfos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H14 N O4 P S
Molecular Weight
299.28
Accurate Mass
299.0381
SMILES
CCOP(=S)(OCC)N1C(=O)c2ccccc2C1=O
InChI
InChI=1S/C12H14NO4PS/c1-3-16-18(19,17-4-2)13-11(14)9-7-5-6-8-10(9)12(13)15/h5-8H,3-4H2,1-2H3
IUPAC
2-diethoxyphosphinothioylisoindole-1,3-dione
Edifenphos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H15 O2 P S2
Molecular Weight
310.37
Accurate Mass
310.0251
SMILES
CCOP(=O)(Sc1ccccc1)Sc2ccccc2
InChI
InChI=1S/C14H15O2PS2/c1-2-16-17(15,18-13-9-5-3-6-10-13)19-14-11-7-4-8-12-14/h3-12H,2H2,1H3
IUPAC
[ethoxy(phenylsulfanyl)phosphoryl]sulfanylbenzene
Endrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H8 Cl6 O
Molecular Weight
380.91
Accurate Mass
377.8706
SMILES
ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@@H]4C[C@@H]([C@H]5O[C@@H]45)[C@H]3[C@]1(Cl)C2(Cl)Cl
InChI
InChI=1S/C12H8Cl6O/c13-8-9(14)11(16)5-3-1-2(6-7(3)19-6)4(5)10(8,15)12(11,17)18/h2-7H,1H2/t2-,3+,4-,5+,6-,7+,10-,11+
IUPAC
rel-(1aR,2R,2aR,3R,6S,6aS,7S,7aS)-3,4,5,6,9,9-hexachloro-1a,2,2a,3,6,6a,7,7a-octahydro-2,7:3,6-dimethanonaphth[2,3-b]oxirene
EPN
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H14 N O4 P S
Molecular Weight
323.30
Accurate Mass
323.0381
SMILES
CCOP(=S)(Oc1ccc(cc1)[N+](=O)[O-])c2ccccc2
InChI
InChI=1S/C14H14NO4PS/c1-2-18-20(21,14-6-4-3-5-7-14)19-13-10-8-12(9-11-13)15(16)17/h3-11H,2H2,1H3
IUPAC
ethoxy-(4-nitrophenoxy)-phenyl-sulfanylidene-?^{5}-phosphane
Epoxiconazole
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C17 H13 Cl F N3 O
Molecular Weight
329.76
Accurate Mass
329.0731
SMILES
Fc1ccc(cc1)[C@@]2(Cn3cncn3)O[C@@H]2c4ccccc4Cl
InChI
InChI=1S/C17H13ClFN3O/c18-15-4-2-1-3-14(15)16-17(23-16,9-22-11-20-10-21-22)12-5-7-13(19)8-6-12/h1-8,10-11,16H,9H2/t16-,17-/m1/s1
IUPAC
1-[[(2S,3R)-3-(2-chlorophenyl)-2-(4-fluorophenyl)oxiran-2-yl]methyl]-1,2,4-triazole
Ethalfluralin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H14 F3 N3 O4
Molecular Weight
333.26
Accurate Mass
333.0936
SMILES
CCN(CC(=C)C)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C13H14F3N3O4/c1-4-17(7-8(2)3)12-10(18(20)21)5-9(13(14,15)16)6-11(12)19(22)23/h5-6H,2,4,7H2,1,3H3
IUPAC
N-ethyl-N-(2-methylprop-2-enyl)-2,6-dinitro-4-(trifluoromethyl)aniline
Ethoprophos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H19 O2 P S2
Molecular Weight
242.34
Accurate Mass
242.0564
SMILES
CCCSP(=O)(OCC)SCCC
InChI
InChI=1S/C8H19O2PS2/c1-4-7-12-11(9,10-6-3)13-8-5-2/h4-8H2,1-3H3
IUPAC
1-[ethoxy(propylsulfanyl)phosphoryl]sulfanylpropane
Fenamidone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H17 N3 O S
Molecular Weight
311.40
Accurate Mass
311.1092
SMILES
CSC1=N[C@](C)(C(=O)N1Nc2ccccc2)c3ccccc3
InChI
InChI=1S/C17H17N3OS/c1-17(13-9-5-3-6-10-13)15(21)20(16(18-17)22-2)19-14-11-7-4-8-12-14/h3-12,19H,1-2H3/t17-/m0/s1
IUPAC
(5S)-3-anilino-5-methyl-2-methylsulfanyl-5-phenylimidazol-4-one
Fenarimol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H12 Cl2 N2 O
Molecular Weight
331.20
Accurate Mass
330.0327
SMILES
OC(c1ccc(Cl)cc1)(c2cncnc2)c3ccccc3Cl
InChI
InChI=1S/C17H12Cl2N2O/c18-14-7-5-12(6-8-14)17(22,13-9-20-11-21-10-13)15-3-1-2-4-16(15)19/h1-11,22H
IUPAC
(2-chlorophenyl)-(4-chlorophenyl)-pyrimidin-5-ylmethanol
Fenothiocarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H19 N O2 S
Molecular Weight
253.36
Accurate Mass
253.1136
SMILES
CN(C)C(=O)SCCCCOc1ccccc1
InChI
InChI=1S/C13H19NO2S/c1-14(2)13(15)17-11-7-6-10-16-12-8-4-3-5-9-12/h3-5,8-9H,6-7,10-11H2,1-2H3
IUPAC
S-(4-phenoxybutyl) N,N-dimethylcarbamothioate
Fensulfothion
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H17 O4 P S2
Molecular Weight
308.35
Accurate Mass
308.0306
SMILES
CCOP(=S)(OCC)Oc1ccc(cc1)S(=O)C
InChI
InChI=1S/C11H17O4PS2/c1-4-13-16(17,14-5-2)15-10-6-8-11(9-7-10)18(3)12/h6-9H,4-5H2,1-3H3
IUPAC
diethoxy-(4-methylsulfinylphenoxy)-sulfanylidene-?^{5}-phosphane
Fenthion
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H15 O3 P S2
Molecular Weight
278.33
Accurate Mass
278.02
SMILES
COP(=S)(OC)Oc1ccc(SC)c(C)c1
InChI
InChI=1S/C10H15O3PS2/c1-8-7-9(5-6-10(8)16-4)13-14(15,11-2)12-3/h5-7H,1-4H3
IUPAC
dimethoxy-(3-methyl-4-methylsulfanylphenoxy)-sulfanylidene-?^{5}-phosphane
Fenthion-sulfone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H15 O5 P S2
Molecular Weight
310.33
Accurate Mass
310.0099
SMILES
COP(=S)(OC)Oc1ccc(c(C)c1)S(=O)(=O)C
InChI
InChI=1S/C10H15O5PS2/c1-8-7-9(15-16(17,13-2)14-3)5-6-10(8)18(4,11)12/h5-7H,1-4H3
IUPAC
dimethoxy-(3-methyl-4-methylsulfonylphenoxy)-sulfanylidene-?^{5}-phosphane
Fenthion-sulfoxide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H15 O4 P S2
Molecular Weight
294.33
Accurate Mass
294.0149
SMILES
COP(=S)(OC)Oc1ccc(c(C)c1)S(=O)C
InChI
InChI=1S/C10H15O4PS2/c1-8-7-9(5-6-10(8)17(4)11)14-15(16,12-2)13-3/h5-7H,1-4H3
IUPAC
dimethoxy-(3-methyl-4-methylsulfinylphenoxy)-sulfanylidene-?^{5}-phosphane
Fenvalerate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C25 H22 Cl N O3
Molecular Weight
419.90
Accurate Mass
419.1288
SMILES
CC(C)C(C(=O)OC(C#N)c1cccc(Oc2ccccc2)c1)c3ccc(Cl)cc3
InChI
InChI=1S/C25H22ClNO3/c1-17(2)24(18-11-13-20(26)14-12-18)25(28)30-23(16-27)19-7-6-10-22(15-19)29-21-8-4-3-5-9-21/h3-15,17,23-24H,1-2H3
IUPAC
[cyano-(3-phenoxyphenyl)methyl] 2-(4-chlorophenyl)-3-methylbutanoate
Flutolanil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H16 F3 N O2
Molecular Weight
323.31
Accurate Mass
323.1133
SMILES
CC(C)Oc1cccc(NC(=O)c2ccccc2C(F)(F)F)c1
InChI
InChI=1S/C17H16F3NO2/c1-11(2)23-13-7-5-6-12(10-13)21-16(22)14-8-3-4-9-15(14)17(18,19)20/h3-11H,1-2H3,(H,21,22)
IUPAC
N-(3-propan-2-yloxyphenyl)-2-(trifluoromethyl)benzamide
Fonofos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H15 O P S2
Molecular Weight
246.33
Accurate Mass
246.0302
SMILES
CCOP(=S)(CC)Sc1ccccc1
InChI
InChI=1S/C10H15OPS2/c1-3-11-12(13,4-2)14-10-8-6-5-7-9-10/h5-9H,3-4H2,1-2H3
IUPAC
ethoxy-ethyl-phenylsulfanyl-sulfanylidene-?^{5}-phosphane
Formothion
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H12 N O4 P S2
Molecular Weight
257.27
Accurate Mass
256.9945
SMILES
COP(=S)(OC)SCC(=O)N(C)C=O
InChI
InChI=1S/C6H12NO4PS2/c1-7(5-8)6(9)4-14-12(13,10-2)11-3/h5H,4H2,1-3H3
IUPAC
2-dimethoxyphosphinothioylsulfanyl-N-formyl-N-methylacetamide
Fosthiazate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H18 N O3 P S2
Molecular Weight
283.35
Accurate Mass
283.0466
SMILES
CCOP(=O)(SC(C)CC)N1CCSC1=O
InChI
InChI=1S/C9H18NO3PS2/c1-4-8(3)16-14(12,13-5-2)10-6-7-15-9(10)11/h8H,4-7H2,1-3H3
IUPAC
3-[butan-2-ylsulfanyl(ethoxy)phosphoryl]-1,3-thiazolidin-2-one
gamma-HCH
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H6 Cl6
Molecular Weight
290.83
Accurate Mass
287.8601
SMILES
Cl[C@@H]1[C@H](Cl)[C@@H](Cl)[C@H](Cl)[C@H](Cl)[C@H]1Cl
InChI
InChI=1S/C6H6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/h1-6H/t1-,2-,3-,4+,5+,6+
IUPAC
1,2,3,4,5,6-hexachlorocyclohexane
Hexachlorobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 Cl6
Molecular Weight
284.78
Accurate Mass
281.8131
SMILES
Clc1c(Cl)c(Cl)c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9
IUPAC
1,2,3,4,5,6-hexachlorobenzene
Hexazinone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H20 N4 O2
Molecular Weight
252.31
Accurate Mass
252.1586
SMILES
CN(C)C1=NC(=O)N(C2CCCCC2)C(=O)N1C
InChI
InChI=1S/C12H20N4O2/c1-14(2)10-13-11(17)16(12(18)15(10)3)9-7-5-4-6-8-9/h9H,4-8H2,1-3H3
IUPAC
3-cyclohexyl-6-(dimethylamino)-1-methyl-1,3,5-triazine-2,4-dione
Imazalil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H14 Cl2 N2 O
Molecular Weight
297.18
Accurate Mass
296.0483
SMILES
Clc1ccc(C(Cn2ccnc2)OCC=C)c(Cl)c1
InChI
InChI=1S/C14H14Cl2N2O/c1-2-7-19-14(9-18-6-5-17-10-18)12-4-3-11(15)8-13(12)16/h2-6,8,10,14H,1,7,9H2
IUPAC
1-[2-(2,4-dichlorophenyl)-2-prop-2-enoxyethyl]imidazole
Iprobenfos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H21 O3 P S
Molecular Weight
288.34
Accurate Mass
288.0949
SMILES
CC(C)OP(=O)(OC(C)C)SCc1ccccc1
InChI
InChI=1S/C13H21O3PS/c1-11(2)15-17(14,16-12(3)4)18-10-13-8-6-5-7-9-13/h5-9,11-12H,10H2,1-4H3
IUPAC
di(propan-2-yloxy)phosphorylsulfanylmethylbenzene
Isofenphos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H24 N O4 P S
Molecular Weight
345.39
Accurate Mass
345.1164
SMILES
CCOP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C
InChI
InChI=1S/C15H24NO4PS/c1-6-18-21(22,16-11(2)3)20-14-10-8-7-9-13(14)15(17)19-12(4)5/h7-12H,6H2,1-5H3,(H,16,22)
IUPAC
propan-2-yl 2-[ethoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate
Isofenphos-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H22 N O4 P S
Molecular Weight
331.37
Accurate Mass
331.1007
SMILES
COP(=S)(NC(C)C)Oc1ccccc1C(=O)OC(C)C
InChI
InChI=1S/C14H22NO4PS/c1-10(2)15-20(21,17-5)19-13-9-7-6-8-12(13)14(16)18-11(3)4/h6-11H,1-5H3,(H,15,21)
IUPAC
propan-2-yl 2-[methoxy-(propan-2-ylamino)phosphinothioyl]oxybenzoate
Isoprocarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H15 N O2
Molecular Weight
193.24
Accurate Mass
193.1103
SMILES
CNC(=O)Oc1ccccc1C(C)C
InChI
InChI=1S/C11H15NO2/c1-8(2)9-6-4-5-7-10(9)14-11(13)12-3/h4-8H,1-3H3,(H,12,13)
IUPAC
(2-propan-2-ylphenyl) N-methylcarbamate
Isoxathion
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H16 N O4 P S
Molecular Weight
313.31
Accurate Mass
313.0538
SMILES
CCOP(=S)(OCC)Oc1cc(on1)c2ccccc2
InChI
InChI=1S/C13H16NO4PS/c1-3-15-19(20,16-4-2)18-13-10-12(17-14-13)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
IUPAC
diethoxy-[(5-phenyl-1,2-oxazol-3-yl)oxy]-sulfanylidene-?^{5}-phosphane
Kresoxim-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H19 N O4
Molecular Weight
313.35
Accurate Mass
313.1314
SMILES
CO\N=C(\C(=O)OC)/c1ccccc1COc2ccccc2C
InChI
InChI=1S/C18H19NO4/c1-13-8-4-7-11-16(13)23-12-14-9-5-6-10-15(14)17(19-22-3)18(20)21-2/h4-11H,12H2,1-3H3/b19-17+
IUPAC
methyl (2E)-2-methoxyimino-2-[2-[(2-methylphenoxy)methyl]phenyl]acetate
Mepanipyrim
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H13 N3
Molecular Weight
223.27
Accurate Mass
223.1109
SMILES
CC#Cc1cc(C)nc(Nc2ccccc2)n1
InChI
InChI=1S/C14H13N3/c1-3-7-13-10-11(2)15-14(17-13)16-12-8-5-4-6-9-12/h4-6,8-10H,1-2H3,(H,15,16,17)
IUPAC
4-methyl-N-phenyl-6-prop-1-ynylpyrimidin-2-amine
Mephosfolan
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H16 N O3 P S2
Molecular Weight
269.32
Accurate Mass
269.0309
SMILES
CCOP(=O)(OCC)\N=C/1\SCC(C)S1
InChI
InChI=1S/C8H16NO3PS2/c1-4-11-13(10,12-5-2)9-8-14-6-7(3)15-8/h7H,4-6H2,1-3H3/b9-8-
IUPAC
(Z)-N-diethoxyphosphoryl-4-methyl-1,3-dithiolan-2-imine
Metalaxyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H21 N O4
Molecular Weight
279.33
Accurate Mass
279.1471
SMILES
COCC(=O)N(C(C)C(=O)OC)c1c(C)cccc1C
InChI
InChI=1S/C15H21NO4/c1-10-7-6-8-11(2)14(10)16(13(17)9-19-4)12(3)15(18)20-5/h6-8,12H,9H2,1-5H3
IUPAC
methyl 2-(N-(2-methoxyacetyl)-2,6-dimethylanilino)propanoate
Methacrifos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H13 O5 P S
Molecular Weight
240.21
Accurate Mass
240.0221
SMILES
COC(=O)\C(=C\OP(=S)(OC)OC)\C
InChI
InChI=1S/C7H13O5PS/c1-6(7(8)9-2)5-12-13(14,10-3)11-4/h5H,1-4H3/b6-5+
IUPAC
methyl (E)-3-dimethoxyphosphinothioyloxy-2-methylprop-2-enoate
Methamidophos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C2 H8 N O2 P S
Molecular Weight
141.13
Accurate Mass
141.0013
SMILES
COP(=O)(N)SC
InChI
InChI=1S/C2H8NO2PS/c1-5-6(3,4)7-2/h1-2H3,(H2,3,4)
IUPAC
[amino(methylsulfanyl)phosphoryl]oxymethane
Metolachlor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H22 Cl N O2
Molecular Weight
283.79
Accurate Mass
283.1339
SMILES
CCc1cccc(C)c1N(C(C)COC)C(=O)CCl
InChI
InChI=1S/C15H22ClNO2/c1-5-13-8-6-7-11(2)15(13)17(14(18)9-16)12(3)10-19-4/h6-8,12H,5,9-10H2,1-4H3
IUPAC
2-chloro-N-(2-ethyl-6-methylphenyl)-N-(1-methoxypropan-2-yl)acetamide
Metribuzin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H14 N4 O S
Molecular Weight
214.29
Accurate Mass
214.0888
SMILES
CSC1=NN=C(C(=O)N1N)C(C)(C)C
InChI
InChI=1S/C8H14N4OS/c1-8(2,3)5-6(13)12(9)7(14-4)11-10-5/h9H2,1-4H3
IUPAC
4-amino-6-tert-butyl-3-methylsulfanyl-1,2,4-triazin-5-one
Mevinphos
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C7 H13 O6 P
Molecular Weight
224.15
Accurate Mass
224.045
SMILES
COC(=O)C=C(C)OP(=O)(OC)OC
InChI
InChI=1S/C7H13O6P/c1-6(5-7(8)10-2)13-14(9,11-3)12-4/h5H,1-4H3
IUPAC
methyl 3-dimethoxyphosphoryloxybut-2-enoate
Molinate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H17 N O S
Molecular Weight
187.30
Accurate Mass
187.1031
SMILES
CCSC(=O)N1CCCCCC1
InChI
InChI=1S/C9H17NOS/c1-2-12-9(11)10-7-5-3-4-6-8-10/h2-8H2,1H3
IUPAC
S-ethyl azepane-1-carbothioate
Monocrotophos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H14 N O5 P
Molecular Weight
223.16
Accurate Mass
223.061
SMILES
CNC(=O)\C=C(/C)\OP(=O)(OC)OC
InChI
InChI=1S/C7H14NO5P/c1-6(5-7(9)8-2)13-14(10,11-3)12-4/h5H,1-4H3,(H,8,9)/b6-5+
IUPAC
dimethyl [(E)-4-(methylamino)-4-oxobut-2-en-2-yl] phosphate
Oxadiazon
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H18 Cl2 N2 O3
Molecular Weight
345.22
Accurate Mass
344.0694
SMILES
CC(C)Oc1cc(N2N=C(OC2=O)C(C)(C)C)c(Cl)cc1Cl
InChI
InChI=1S/C15H18Cl2N2O3/c1-8(2)21-12-7-11(9(16)6-10(12)17)19-14(20)22-13(18-19)15(3,4)5/h6-8H,1-5H3
IUPAC
5-tert-butyl-3-(2,4-dichloro-5-propan-2-yloxyphenyl)-1,3,4-oxadiazol-2-one
Oxyfluorfen
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H11 Cl F3 N O4
Molecular Weight
361.70
Accurate Mass
361.0329
SMILES
CCOc1cc(Oc2ccc(cc2Cl)C(F)(F)F)ccc1[N+](=O)[O-]
InChI
InChI=1S/C15H11ClF3NO4/c1-2-23-14-8-10(4-5-12(14)20(21)22)24-13-6-3-9(7-11(13)16)15(17,18)19/h3-8H,2H2,1H3
IUPAC
2-chloro-1-(3-ethoxy-4-nitrophenoxy)-4-(trifluoromethyl)benzene
Paraoxon-ethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14 N O6 P
Molecular Weight
275.20
Accurate Mass
275.0559
SMILES
CCOP(=O)(OCC)Oc1ccc(cc1)[N+](=O)[O-]
InChI
InChI=1S/C10H14NO6P/c1-3-15-18(14,16-4-2)17-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
IUPAC
diethyl (4-nitrophenyl) phosphate
Paraoxon-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 N O6 P
Molecular Weight
247.14
Accurate Mass
247.0246
SMILES
COP(=O)(OC)Oc1ccc(cc1)[N+](=O)[O-]
InChI
InChI=1S/C8H10NO6P/c1-13-16(12,14-2)15-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
IUPAC
dimethyl (4-nitrophenyl) phosphate
Parathion-ethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H14 N O5 P S
Molecular Weight
291.26
Accurate Mass
291.033
SMILES
CCOP(=S)(OCC)Oc1ccc(cc1)[N+](=O)[O-]
InChI
InChI=1S/C10H14NO5PS/c1-3-14-17(18,15-4-2)16-10-7-5-9(6-8-10)11(12)13/h5-8H,3-4H2,1-2H3
IUPAC
diethoxy-(4-nitrophenoxy)-sulfanylidene-?^{5}-phosphane
Penconazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H15 Cl2 N3
Molecular Weight
284.18
Accurate Mass
283.0643
SMILES
CCCC(Cn1cncn1)c2ccc(Cl)cc2Cl
InChI
InChI=1S/C13H15Cl2N3/c1-2-3-10(7-18-9-16-8-17-18)12-5-4-11(14)6-13(12)15/h4-6,8-10H,2-3,7H2,1H3
IUPAC
1-[2-(2,4-dichlorophenyl)pentyl]-1,2,4-triazole
Phorate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H17 O2 P S3
Molecular Weight
260.38
Accurate Mass
260.0128
SMILES
CCOP(=S)(OCC)SCSCC
InChI
InChI=1S/C7H17O2PS3/c1-4-8-10(11,9-5-2)13-7-12-6-3/h4-7H2,1-3H3
IUPAC
diethoxy-(ethylsulfanylmethylsulfanyl)-sulfanylidene-?^{5}-phosphane
Phorate-sulfone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H17 O4 P S3
Molecular Weight
292.38
Accurate Mass
292.0027
SMILES
CCOP(=S)(OCC)SCS(=O)(=O)CC
InChI
InChI=1S/C7H17O4PS3/c1-4-10-12(13,11-5-2)14-7-15(8,9)6-3/h4-7H2,1-3H3
IUPAC
diethoxy-(ethylsulfonylmethylsulfanyl)-sulfanylidene-?^{5}-phosphane
Phorate-sulfoxide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H17 O3 P S3
Molecular Weight
276.38
Accurate Mass
276.0077
SMILES
CCOP(=S)(OCC)SCS(=O)CC
InChI
InChI=1S/C7H17O3PS3/c1-4-9-11(12,10-5-2)13-7-14(8)6-3/h4-7H2,1-3H3
IUPAC
diethoxy-(ethylsulfinylmethylsulfanyl)-sulfanylidene-?^{5}-phosphane
Piperonyl butoxide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H30 O5
Molecular Weight
338.44
Accurate Mass
338.2093
SMILES
CCCCOCCOCCOCc1cc2OCOc2cc1CCC
InChI
InChI=1S/C19H30O5/c1-3-5-7-20-8-9-21-10-11-22-14-17-13-19-18(23-15-24-19)12-16(17)6-4-2/h12-13H,3-11,14-15H2,1-2H3
IUPAC
5-[2-(2-butoxyethoxy)ethoxymethyl]-6-propyl-1,3-benzodioxole
Piperophos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H28 N O3 P S2
Molecular Weight
353.48
Accurate Mass
353.1248
SMILES
CCCOP(=S)(OCCC)SCC(=O)N1CCCCC1C
InChI
InChI=1S/C14H28NO3PS2/c1-4-10-17-19(20,18-11-5-2)21-12-14(16)15-9-7-6-8-13(15)3/h13H,4-12H2,1-3H3
IUPAC
2-dipropoxyphosphinothioylsulfanyl-1-(2-methylpiperidin-1-yl)ethanone
Pirimicarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H18 N4 O2
Molecular Weight
238.29
Accurate Mass
238.143
SMILES
CN(C)C(=O)Oc1nc(nc(C)c1C)N(C)C
InChI
InChI=1S/C11H18N4O2/c1-7-8(2)12-10(14(3)4)13-9(7)17-11(16)15(5)6/h1-6H3
IUPAC
[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl] N,N-dimethylcarbamate
Pirimiphos-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H20 N3 O3 P S
Molecular Weight
305.33
Accurate Mass
305.0963
SMILES
CCN(CC)c1nc(C)cc(OP(=S)(OC)OC)n1
InChI
InChI=1S/C11H20N3O3PS/c1-6-14(7-2)11-12-9(3)8-10(13-11)17-18(19,15-4)16-5/h8H,6-7H2,1-5H3
IUPAC
4-dimethoxyphosphinothioyloxy-N,N-diethyl-6-methylpyrimidin-2-amine
Pretilachlor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H26 Cl N O2
Molecular Weight
311.85
Accurate Mass
311.1652
SMILES
CCCOCCN(C(=O)CCl)c1c(CC)cccc1CC
InChI
InChI=1S/C17H26ClNO2/c1-4-11-21-12-10-19(16(20)13-18)17-14(5-2)8-7-9-15(17)6-3/h7-9H,4-6,10-13H2,1-3H3
IUPAC
2-chloro-N-(2,6-diethylphenyl)-N-(2-propoxyethyl)acetamide
Profluralin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H16 F3 N3 O4
Molecular Weight
347.29
Accurate Mass
347.1093
SMILES
CCCN(CC1CC1)c2c(cc(cc2[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C14H16F3N3O4/c1-2-5-18(8-9-3-4-9)13-11(19(21)22)6-10(14(15,16)17)7-12(13)20(23)24/h6-7,9H,2-5,8H2,1H3
IUPAC
N-(cyclopropylmethyl)-2,6-dinitro-N-propyl-4-(trifluoromethyl)aniline
Propazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H16 Cl N5
Molecular Weight
229.71
Accurate Mass
229.1094
SMILES
CC(C)Nc1nc(Cl)nc(NC(C)C)n1
InChI
InChI=1S/C9H16ClN5/c1-5(2)11-8-13-7(10)14-9(15-8)12-6(3)4/h5-6H,1-4H3,(H2,11,12,13,14,15)
IUPAC
6-chloro-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Propetamphos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H20 N O4 P S
Molecular Weight
281.31
Accurate Mass
281.0851
SMILES
CCNP(=S)(OC)O\C(=C\C(=O)OC(C)C)\C
InChI
InChI=1S/C10H20NO4PS/c1-6-11-16(17,13-5)15-9(4)7-10(12)14-8(2)3/h7-8H,6H2,1-5H3,(H,11,17)/b9-7+
IUPAC
propan-2-yl (E)-3-[ethylamino(methoxy)phosphinothioyl]oxybut-2-enoate
Propoxur
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H15 N O3
Molecular Weight
209.24
Accurate Mass
209.1052
SMILES
CNC(=O)Oc1ccccc1OC(C)C
InChI
InChI=1S/C11H15NO3/c1-8(2)14-9-6-4-5-7-10(9)15-11(13)12-3/h4-8H,1-3H3,(H,12,13)
IUPAC
(2-propan-2-yloxyphenyl) N-methylcarbamate
Pyrazophos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H20 N3 O5 P S
Molecular Weight
373.36
Accurate Mass
373.0861
SMILES
CCOC(=O)c1cn2nc(OP(=S)(OCC)OCC)cc2nc1C
InChI
InChI=1S/C14H20N3O5PS/c1-5-19-14(18)11-9-17-12(15-10(11)4)8-13(16-17)22-23(24,20-6-2)21-7-3/h8-9H,5-7H2,1-4H3
IUPAC
ethyl 2-diethoxyphosphinothioyloxy-5-methylpyrazolo[1,5-a]pyrimidine-6-carboxylate
Pyridaben
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H25 Cl N2 O S
Molecular Weight
364.93
Accurate Mass
364.1376
SMILES
CC(C)(C)N1N=CC(=C(Cl)C1=O)SCc2ccc(cc2)C(C)(C)C
InChI
InChI=1S/C19H25ClN2OS/c1-18(2,3)14-9-7-13(8-10-14)12-24-15-11-21-22(19(4,5)6)17(23)16(15)20/h7-11H,12H2,1-6H3
IUPAC
2-tert-butyl-5-[(4-tert-butylphenyl)methylsulfanyl]-4-chloropyridazin-3-one
Pyriproxyfen
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H19 N O3
Molecular Weight
321.37
Accurate Mass
321.1365
SMILES
CC(COc1ccc(Oc2ccccc2)cc1)Oc3ccccn3
InChI
InChI=1S/C20H19NO3/c1-16(23-20-9-5-6-14-21-20)15-22-17-10-12-19(13-11-17)24-18-7-3-2-4-8-18/h2-14,16H,15H2,1H3
IUPAC
2-[1-(4-phenoxyphenoxy)propan-2-yloxy]pyridine
Quinalphos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H15 N2 O3 P S
Molecular Weight
298.30
Accurate Mass
298.0541
SMILES
CCOP(=S)(OCC)Oc1cnc2ccccc2n1
InChI
InChI=1S/C12H15N2O3PS/c1-3-15-18(19,16-4-2)17-12-9-13-10-7-5-6-8-11(10)14-12/h5-9H,3-4H2,1-2H3
IUPAC
diethoxy-quinoxalin-2-yloxy-sulfanylidene-?^{5}-phosphane
Quinoxyfen
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H8 Cl2 F N O
Molecular Weight
308.13
Accurate Mass
306.9967
SMILES
Fc1ccc(Oc2ccnc3cc(Cl)cc(Cl)c23)cc1
InChI
InChI=1S/C15H8Cl2FNO/c16-9-7-12(17)15-13(8-9)19-6-5-14(15)20-11-3-1-10(18)2-4-11/h1-8H
IUPAC
5,7-dichloro-4-(4-fluorophenoxy)quinoline
Sulfotep
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H20 O5 P2 S2
Molecular Weight
322.32
Accurate Mass
322.0227
SMILES
CCOP(=S)(OCC)OP(=S)(OCC)OCC
InChI
InChI=1S/C8H20O5P2S2/c1-5-9-14(16,10-6-2)13-15(17,11-7-3)12-8-4/h5-8H2,1-4H3
IUPAC
diethoxyphosphinothioyloxy-diethoxy-sulfanylidene-?^{5}-phosphane
Tebuconazole
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C16H22ClN3O
Molecular Weight
307.82
Accurate Mass
307.1451
SMILES
CC(C)(C)C(O)(CCc1ccc(Cl)cc1)Cn2cncn2
InChI
InChI=1S/C16H22ClN3O/c1-15(2,3)16(21,10-20-12-18-11-19-20)9-8-13-4-6-14(17)7-5-13/h4-7,11-12,21H,8-10H2,1-3H3
IUPAC
1-(4-chlorophenyl)-4,4-dimethyl-3-(1,2,4-triazol-1-ylmethyl)pentan-3-ol
Tebufenpyrad
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H24 Cl N3 O
Molecular Weight
333.86
Accurate Mass
333.1608
SMILES
CCc1nn(C)c(C(=O)NCc2ccc(cc2)C(C)(C)C)c1Cl
InChI
InChI=1S/C18H24ClN3O/c1-6-14-15(19)16(22(5)21-14)17(23)20-11-12-7-9-13(10-8-12)18(2,3)4/h7-10H,6,11H2,1-5H3,(H,20,23)
IUPAC
N-[(4-tert-butylphenyl)methyl]-4-chloro-5-ethyl-2-methylpyrazole-3-carboxamide
Tebupirimfos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H23 N2 O3 P S
Molecular Weight
318.37
Accurate Mass
318.1167
SMILES
CCOP(=S)(OC(C)C)Oc1cnc(nc1)C(C)(C)C
InChI
InChI=1S/C13H23N2O3PS/c1-7-16-19(20,17-10(2)3)18-11-8-14-12(15-9-11)13(4,5)6/h8-10H,7H2,1-6H3
IUPAC
(2-tert-butylpyrimidin-5-yl)oxy-ethoxy-propan-2-yloxy-sulfanylidene-?^{5}-phosphane
Terbufos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H21 O2 P S3
Molecular Weight
288.43
Accurate Mass
288.0441
SMILES
CCOP(=S)(OCC)SCSC(C)(C)C
InChI
InChI=1S/C9H21O2PS3/c1-6-10-12(13,11-7-2)15-8-14-9(3,4)5/h6-8H2,1-5H3
IUPAC
tert-butylsulfanylmethylsulfanyl-diethoxy-sulfanylidene-?^{5}-phosphane
Terbufos-sulfone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H21 O4 P S3
Molecular Weight
320.43
Accurate Mass
320.034
SMILES
CCOP(=S)(OCC)SCS(=O)(=O)C(C)(C)C
InChI
InChI=1S/C9H21O4PS3/c1-6-12-14(15,13-7-2)16-8-17(10,11)9(3,4)5/h6-8H2,1-5H3
IUPAC
tert-butylsulfonylmethylsulfanyl-diethoxy-sulfanylidene-?^{5}-phosphane
Tetradifon
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H6 Cl4 O2 S
Molecular Weight
356.05
Accurate Mass
353.8843
SMILES
Clc1ccc(cc1)S(=O)(=O)c2cc(Cl)c(Cl)cc2Cl
InChI
InChI=1S/C12H6Cl4O2S/c13-7-1-3-8(4-2-7)19(17,18)12-6-10(15)9(14)5-11(12)16/h1-6H
IUPAC
1,2,4-trichloro-5-(4-chlorophenyl)sulfonylbenzene
Tetramethrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H25 N O4
Molecular Weight
331.41
Accurate Mass
331.1784
SMILES
CC(=CC1C(C(=O)OCN2C(=O)C3=C(CCCC3)C2=O)C1(C)C)C
InChI
InChI=1S/C19H25NO4/c1-11(2)9-14-15(19(14,3)4)18(23)24-10-20-16(21)12-7-5-6-8-13(12)17(20)22/h9,14-15H,5-8,10H2,1-4H3
IUPAC
(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)methyl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
Thiobencarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H16 Cl N O S
Molecular Weight
257.78
Accurate Mass
257.0641
SMILES
CCN(CC)C(=O)SCc1ccc(Cl)cc1
InChI
InChI=1S/C12H16ClNOS/c1-3-14(4-2)12(15)16-9-10-5-7-11(13)8-6-10/h5-8H,3-4,9H2,1-2H3
IUPAC
S-[(4-chlorophenyl)methyl] N,N-diethylcarbamothioate
Triadimefon
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H16 Cl N3 O2
Molecular Weight
293.75
Accurate Mass
293.0931
SMILES
CC(C)(C)C(=O)C(Oc1ccc(Cl)cc1)n2cncn2
InChI
InChI=1S/C14H16ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,13H,1-3H3
IUPAC
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-one
Triadimenol
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H18 Cl N3 O2
Molecular Weight
295.76
Accurate Mass
295.1088
SMILES
CC(C)(C)C(O)C(Oc1ccc(Cl)cc1)n2cncn2
InChI
InChI=1S/C14H18ClN3O2/c1-14(2,3)12(19)13(18-9-16-8-17-18)20-11-6-4-10(15)5-7-11/h4-9,12-13,19H,1-3H3
IUPAC
1-(4-chlorophenoxy)-3,3-dimethyl-1-(1,2,4-triazol-1-yl)butan-2-ol
Triallate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16 Cl3 N O S
Molecular Weight
304.66
Accurate Mass
303.0018
SMILES
CC(C)N(C(C)C)C(=O)SCC(=C(Cl)Cl)Cl
InChI
InChI=1S/C10H16Cl3NOS/c1-6(2)14(7(3)4)10(15)16-5-8(11)9(12)13/h6-7H,5H2,1-4H3
IUPAC
S-(2,3,3-trichloroprop-2-enyl) N,N-di(propan-2-yl)carbamothioate
Triazophos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H16 N3 O3 P S
Molecular Weight
313.31
Accurate Mass
313.065
SMILES
CCOP(=S)(OCC)Oc1ncn(n1)c2ccccc2
InChI
InChI=1S/C12H16N3O3PS/c1-3-16-19(20,17-4-2)18-12-13-10-15(14-12)11-8-6-5-7-9-11/h5-10H,3-4H2,1-2H3
IUPAC
diethoxy-[(1-phenyl-1,2,4-triazol-3-yl)oxy]-sulfanylidene-?^{5}-phosphane
Tribufos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H27 O P S3
Molecular Weight
314.51
Accurate Mass
314.0962
SMILES
CCCCSP(=O)(SCCCC)SCCCC
InChI
InChI=1S/C12H27OPS3/c1-4-7-10-15-14(13,16-11-8-5-2)17-12-9-6-3/h4-12H2,1-3H3
IUPAC
1-bis(butylsulfanyl)phosphorylsulfanylbutane
Trifloxystrobin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H19 F3 N2 O4
Molecular Weight
408.37
Accurate Mass
408.1297
SMILES
CO\N=C(\C(=O)OC)/c1ccccc1CO\N=C(/C)\c2cccc(c2)C(F)(F)F
InChI
InChI=1S/C20H19F3N2O4/c1-13(14-8-6-9-16(11-14)20(21,22)23)24-29-12-15-7-4-5-10-17(15)18(25-28-3)19(26)27-2/h4-11H,12H2,1-3H3/b24-13+,25-18+
IUPAC
methyl (2E)-2-methoxyimino-2-[2-[[(E)-1-[3-(trifluoromethyl)phenyl]ethylideneamino]oxymethyl]phenyl]acetate
Vinclozolin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H9 Cl2 N O3
Molecular Weight
286.11
Accurate Mass
284.9959
SMILES
CC1(OC(=O)N(C1=O)c2cc(Cl)cc(Cl)c2)C=C
InChI
InChI=1S/C12H9Cl2NO3/c1-3-12(2)10(16)15(11(17)18-12)9-5-7(13)4-8(14)6-9/h3-6H,1H2,2H3
IUPAC
3-(3,5-dichlorophenyl)-5-ethenyl-5-methyl-1,3-oxazolidine-2,4-dione
Product Data
Storage Temperature
-18°C
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Transport Restrictions
Air Excepted
Product Format
Mixture
Solvent
Ethyl acetate
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