GC PestiMix 2 10 µg/mL in Isooctane:Toluene (50:50)
Product Code
DRE-A50000293IT
CAS Number
88 AnalytesProduct Format
Mixture
Solvent
Isooctane:Toluene
Product Categories
Documentation
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Product Information
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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Heptachlor-endo-epoxide (trans-, isomer A)
10 µg/mL
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CAS Number
Alternate CAS Number
Unlabelled CAS Number
Molecular Formula
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Molecular Weight
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Accurate Mass
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Melting Point
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Appearance/Form
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SMILES
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InChI
{{ analyteItem.inchi[0].name }}
IUPAC
{{ analyteItem.iupac }}
(±)-Fenpropathrin
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
C22 H23 N O3
Molecular Weight
349.42
Accurate Mass
349.1678
SMILES
CC1(C)C(C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2)C1(C)C
InChI
InChI=1S/C22H23NO3/c1-21(2)19(22(21,3)4)20(24)26-18(14-23)15-9-8-12-17(13-15)25-16-10-6-5-7-11-16/h5-13,18-19H,1-4H3
IUPAC
[cyano-(3-phenoxyphenyl)methyl] 2,2,3,3-tetramethylcyclopropane-1-carboxylate
1-Bromo-2-nitrobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H4 Br N O2
Molecular Weight
202.01
Accurate Mass
200.9425
SMILES
[O-][N+](=O)c1ccccc1Br
InChI
InChI=1S/C6H4BrNO2/c7-5-3-1-2-4-6(5)8(9)10/h1-4H
IUPAC
1-bromo-2-nitrobenzene
2,4-D 2-ethylhexyl ester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H22 Cl2 O3
Molecular Weight
333.25
Accurate Mass
332.0946
SMILES
CCCCC(CC)COC(=O)COc1ccc(Cl)cc1Cl
InChI
InChI=1S/C16H22Cl2O3/c1-3-5-6-12(4-2)10-21-16(19)11-20-15-8-7-13(17)9-14(15)18/h7-9,12H,3-6,10-11H2,1-2H3
IUPAC
2-ethylhexyl 2-(2,4-dichlorophenoxy)acetate
2,4-Dinitrotoluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H6 N2 O4
Molecular Weight
182.13
Accurate Mass
182.0328
SMILES
Cc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O4/c1-5-2-3-6(8(10)11)4-7(5)9(12)13/h2-4H,1H3
IUPAC
1-methyl-2,4-dinitrobenzene
2,6-Dinitrotoluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H6 N2 O4
Molecular Weight
182.13
Accurate Mass
182.0328
SMILES
Cc1c(cccc1[N+](=O)[O-])[N+](=O)[O-]
InChI
InChI=1S/C7H6N2O4/c1-5-6(8(10)11)3-2-4-7(5)9(12)13/h2-4H,1H3
IUPAC
2-methyl-1,3-dinitrobenzene
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
9,10-Diphenylanthracene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C26 H18
Molecular Weight
330.42
Accurate Mass
330.1409
SMILES
c1ccc(cc1)c2c3ccccc3c(c4ccccc4)c5ccccc25
InChI
InChI=1S/C26H18/c1-3-11-19(12-4-1)25-21-15-7-9-17-23(21)26(20-13-5-2-6-14-20)24-18-10-8-16-22(24)25/h1-18H
IUPAC
9,10-diphenylanthracene
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
Acrinathrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C26 H21 F6 N O5
Molecular Weight
541.44
Accurate Mass
541.1324
SMILES
CC1(C)[C@@H](\C=C/C(=O)OC(C(F)(F)F)C(F)(F)F)[C@H]1C(=O)O[C@H](C#N)c2cccc(Oc3ccccc3)c2
InChI
InChI=1S/C26H21F6NO5/c1-24(2)18(11-12-20(34)38-23(25(27,28)29)26(30,31)32)21(24)22(35)37-19(14-33)15-7-6-10-17(13-15)36-16-8-4-3-5-9-16/h3-13,18-19,21,23H,1-2H3/b12-11-/t18-,19+,21-/m0/s1
IUPAC
[(S)-cyano-(3-phenoxyphenyl)methyl] (1R,3S)-3-[(Z)-3-(1,1,1,3,3,3-hexafluoropropan-2-yloxy)-3-oxoprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
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
Azinphos-ethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H16 N3 O3 P S2
Molecular Weight
345.38
Accurate Mass
345.0371
SMILES
CCOP(=S)(OCC)SCN1N=Nc2ccccc2C1=O
InChI
InChI=1S/C12H16N3O3PS2/c1-3-17-19(20,18-4-2)21-9-15-12(16)10-7-5-6-8-11(10)13-14-15/h5-8H,3-4,9H2,1-2H3
IUPAC
3-(diethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one
Azinphos-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H12 N3 O3 P S2
Molecular Weight
317.32
Accurate Mass
317.0058
SMILES
COP(=S)(OC)SCN1N=Nc2ccccc2C1=O
InChI
InChI=1S/C10H12N3O3PS2/c1-15-17(18,16-2)19-7-13-10(14)8-5-3-4-6-9(8)11-12-13/h3-6H,7H2,1-2H3
IUPAC
3-(dimethoxyphosphinothioylsulfanylmethyl)-1,2,3-benzotriazin-4-one
Bendiocarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H13 N O4
Molecular Weight
223.23
Accurate Mass
223.0845
SMILES
CNC(=O)Oc1cccc2OC(C)(C)Oc12
InChI
InChI=1S/C11H13NO4/c1-11(2)15-8-6-4-5-7(9(8)16-11)14-10(13)12-3/h4-6H,1-3H3,(H,12,13)
IUPAC
(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methylcarbamate
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
Bifenox
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H9 Cl2 N O5
Molecular Weight
342.13
Accurate Mass
340.9858
SMILES
COC(=O)c1cc(Oc2ccc(Cl)cc2Cl)ccc1[N+](=O)[O-]
InChI
InChI=1S/C14H9Cl2NO5/c1-21-14(18)10-7-9(3-4-12(10)17(19)20)22-13-5-2-8(15)6-11(13)16/h2-7H,1H3
IUPAC
methyl 5-(2,4-dichlorophenoxy)-2-nitrobenzoate
Biphenyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H10
Molecular Weight
154.21
Accurate Mass
154.0783
SMILES
c1ccc(cc1)c2ccccc2
InChI
InChI=1S/C12H10/c1-3-7-11(8-4-1)12-9-5-2-6-10-12/h1-10H
IUPAC
1,1'-biphenyl
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
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
Butylate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H23 N O S
Molecular Weight
217.37
Accurate Mass
217.15
SMILES
CCSC(=O)N(CC(C)C)CC(C)C
InChI
InChI=1S/C11H23NOS/c1-6-14-11(13)12(7-9(2)3)8-10(4)5/h9-10H,6-8H2,1-5H3
IUPAC
S-ethyl N,N-bis(2-methylpropyl)carbamothioate
Butylhydroxytoluene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H24 O
Molecular Weight
220.35
Accurate Mass
220.1827
SMILES
Cc1cc(c(O)c(c1)C(C)(C)C)C(C)(C)C
InChI
InChI=1S/C15H24O/c1-10-8-11(14(2,3)4)13(16)12(9-10)15(5,6)7/h8-9,16H,1-7H3
IUPAC
2,6-ditert-butyl-4-methylphenol
Carbaryl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H11 N O2
Molecular Weight
201.22
Accurate Mass
201.079
SMILES
CNC(=O)Oc1cccc2ccccc12
InChI
InChI=1S/C12H11NO2/c1-13-12(14)15-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H,13,14)
IUPAC
naphthalen-1-yl N-methylcarbamate
Carbofuran
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H15 N O3
Molecular Weight
221.25
Accurate Mass
221.1052
SMILES
CNC(=O)Oc1cccc2CC(C)(C)Oc12
InChI
InChI=1S/C12H15NO3/c1-12(2)7-8-5-4-6-9(10(8)16-12)15-11(14)13-3/h4-6H,7H2,1-3H3,(H,13,14)
IUPAC
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
Carboxin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H13 N O2 S
Molecular Weight
235.30
Accurate Mass
235.0667
SMILES
CC1=C(SCCO1)C(=O)Nc2ccccc2
InChI
InChI=1S/C12H13NO2S/c1-9-11(16-8-7-15-9)12(14)13-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,13,14)
IUPAC
6-methyl-N-phenyl-2,3-dihydro-1,4-oxathiine-5-carboxamide
Chlormephos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H12 Cl O2 P S2
Molecular Weight
234.70
Accurate Mass
233.9705
SMILES
CCOP(=S)(OCC)SCCl
InChI
InChI=1S/C5H12ClO2PS2/c1-3-7-9(10,8-4-2)11-5-6/h3-5H2,1-2H3
IUPAC
chloromethylsulfanyl-diethoxy-sulfanylidene-?^{5}-phosphane
Chlorothalonil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 Cl4 N2
Molecular Weight
265.91
Accurate Mass
263.8816
SMILES
Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl
InChI
InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
IUPAC
2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile
Coumaphos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H16 Cl O5 P S
Molecular Weight
362.77
Accurate Mass
362.0145
SMILES
CCOP(=S)(OCC)Oc1ccc2C(=C(Cl)C(=O)Oc2c1)C
InChI
InChI=1S/C14H16ClO5PS/c1-4-17-21(22,18-5-2)20-10-6-7-11-9(3)13(15)14(16)19-12(11)8-10/h6-8H,4-5H2,1-3H3
IUPAC
3-chloro-7-diethoxyphosphinothioyloxy-4-methylchromen-2-one
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
Demeton (O+S)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
2 C8 H19 O3 P S2
Molecular Weight
516.68
Accurate Mass
516.1026
SMILES
CCOP(=S)(OCC)OCCSCC.CCOP(=O)(OCC)SCCSCC
InChI
InChI=1S/2C8H19O3PS2/c1-4-10-12(9,11-5-2)14-8-7-13-6-3;1-4-9-12(13,10-5-2)11-7-8-14-6-3/h2*4-8H2,1-3H3
IUPAC
diethoxy-(2-ethylsulfanylethoxy)-sulfanylidene-?^{5}-phosphane;1-diethoxyphosphorylsulfanyl-2-ethylsulfanylethane
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
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
Diethyltoluamide (DEET)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H17 N O
Molecular Weight
191.27
Accurate Mass
191.131
SMILES
CCN(CC)C(=O)c1cccc(C)c1
InChI
InChI=1S/C12H17NO/c1-4-13(5-2)12(14)11-8-6-7-10(3)9-11/h6-9H,4-5H2,1-3H3
IUPAC
N,N-diethyl-3-methylbenzamide
Dimethenamid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H18 Cl N O2 S
Molecular Weight
275.79
Accurate Mass
275.0747
SMILES
COCC(C)N(C(=O)CCl)c1c(C)csc1C
InChI
InChI=1S/C12H18ClNO2S/c1-8-7-17-10(3)12(8)14(11(15)5-13)9(2)6-16-4/h7,9H,5-6H2,1-4H3
IUPAC
2-chloro-N-(2,4-dimethylthiophen-3-yl)-N-(1-methoxypropan-2-yl)acetamide
Dimethomorph
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21 H22 Cl N O4
Molecular Weight
387.86
Accurate Mass
387.1237
SMILES
COc1ccc(cc1OC)\C(=C\C(=O)N2CCOCC2)\c3ccc(Cl)cc3
InChI
InChI=1S/C21H22ClNO4/c1-25-19-8-5-16(13-20(19)26-2)18(15-3-6-17(22)7-4-15)14-21(24)23-9-11-27-12-10-23/h3-8,13-14H,9-12H2,1-2H3/b18-14+
IUPAC
(E)-3-(4-chlorophenyl)-3-(3,4-dimethoxyphenyl)-1-morpholin-4-ylprop-2-en-1-one
Disulfoton-sulfone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H19 O4 P S3
Molecular Weight
306.40
Accurate Mass
306.0183
SMILES
CCOP(=S)(OCC)SCCS(=O)(=O)CC
InChI
InChI=1S/C8H19O4PS3/c1-4-11-13(14,12-5-2)15-7-8-16(9,10)6-3/h4-8H2,1-3H3
IUPAC
diethoxy-(2-ethylsulfonylethylsulfanyl)-sulfanylidene-?^{5}-phosphane
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
EPTC
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H19 N O S
Molecular Weight
189.32
Accurate Mass
189.1187
SMILES
CCCN(CCC)C(=O)SCC
InChI
InChI=1S/C9H19NOS/c1-4-7-10(8-5-2)9(11)12-6-3/h4-8H2,1-3H3
IUPAC
S-ethyl N,N-dipropylcarbamothioate
Famphur
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H16 N O5 P S2
Molecular Weight
325.34
Accurate Mass
325.0208
SMILES
COP(=S)(OC)Oc1ccc(cc1)S(=O)(=O)N(C)C
InChI
InChI=1S/C10H16NO5PS2/c1-11(2)19(12,13)10-7-5-9(6-8-10)16-17(18,14-3)15-4/h5-8H,1-4H3
IUPAC
4-dimethoxyphosphinothioyloxy-N,N-dimethylbenzenesulfonamide
Fenchlorphos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H8 Cl3 O3 P S
Molecular Weight
321.55
Accurate Mass
319.8997
SMILES
COP(=S)(OC)Oc1cc(Cl)c(Cl)cc1Cl
InChI
InChI=1S/C8H8Cl3O3PS/c1-12-15(16,13-2)14-8-4-6(10)5(9)3-7(8)11/h3-4H,1-2H3
IUPAC
dimethoxy-sulfanylidene-(2,4,5-trichlorophenoxy)-?^{5}-phosphane
Fenitrothion
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H12 N O5 P S
Molecular Weight
277.23
Accurate Mass
277.0174
SMILES
COP(=S)(OC)Oc1ccc(c(C)c1)[N+](=O)[O-]
InChI
InChI=1S/C9H12NO5PS/c1-7-6-8(4-5-9(7)10(11)12)15-16(17,13-2)14-3/h4-6H,1-3H3
IUPAC
dimethoxy-(3-methyl-4-nitrophenoxy)-sulfanylidene-?^{5}-phosphane
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-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
Fluridone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C19 H14 F3 N O
Molecular Weight
329.32
Accurate Mass
329.1027
SMILES
CN1C=C(C(=O)C(=C1)c2cccc(c2)C(F)(F)F)c3ccccc3
InChI
InChI=1S/C19H14F3NO/c1-23-11-16(13-6-3-2-4-7-13)18(24)17(12-23)14-8-5-9-15(10-14)19(20,21)22/h2-12H,1H3
IUPAC
1-methyl-3-phenyl-5-[3-(trifluoromethyl)phenyl]pyridin-4-one
Fluroxypyr-1-methylheptylester
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H21 Cl2 F N2 O3
Molecular Weight
367.24
Accurate Mass
366.0913
SMILES
CCCCCCC(C)OC(=O)COc1nc(F)c(Cl)c(N)c1Cl
InChI
InChI=1S/C15H21Cl2FN2O3/c1-3-4-5-6-7-9(2)23-10(21)8-22-15-12(17)13(19)11(16)14(18)20-15/h9H,3-8H2,1-2H3,(H2,19,20)
IUPAC
octan-2-yl 2-(4-amino-3,5-dichloro-6-fluoropyridin-2-yl)oxyacetate
Heptachlor-endo-epoxide (trans-, isomer A)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H5 Cl7 O
Molecular Weight
389.32
Accurate Mass
385.816
SMILES
Cl[C@H]1[C@@H]2O[C@@H]2[C@H]3[C@@H]1[C@@]4(Cl)C(=C(Cl)[C@]3(Cl)C4(Cl)Cl)Cl
InChI
InChI=1S/C10H5Cl7O/c11-3-1-2(4-5(3)18-4)9(15)7(13)6(12)8(1,14)10(9,16)17/h1-5H/t1-,2+,3+,4+,5-,8+,9-/m0/s1
Hexachlorocyclopentadiene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 Cl6
Molecular Weight
272.77
Accurate Mass
269.8131
SMILES
ClC1=C(Cl)C(Cl)(Cl)C(=C1Cl)Cl
InChI
InChI=1S/C5Cl6/c6-1-2(7)4(9)5(10,11)3(1)8
IUPAC
1,2,3,4,5,5-hexachlorocyclopenta-1,3-diene
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
Indoxacarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H17 Cl F3 N3 O7
Molecular Weight
527.83
Accurate Mass
527.0707
SMILES
COC(=O)N(C(=O)N1COC2(Cc3cc(Cl)ccc3C2=N1)C(=O)OC)c4ccc(OC(F)(F)F)cc4
InChI
InChI=1S/C22H17ClF3N3O7/c1-33-18(30)21-10-12-9-13(23)3-8-16(12)17(21)27-28(11-35-21)19(31)29(20(32)34-2)14-4-6-15(7-5-14)36-22(24,25)26/h3-9H,10-11H2,1-2H3
IUPAC
methyl 7-chloro-2-[methoxycarbonyl-[4-(trifluoromethoxy)phenyl]carbamoyl]-3,5-dihydroindeno[1,2-e][1,3,4]oxadiazine-4a-carboxylate
Isodrin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H8 Cl6
Molecular Weight
364.91
Accurate Mass
361.8757
SMILES
ClC1=C(Cl)[C@@]2(Cl)[C@H]3[C@@H]4C[C@@H](C=C4)[C@H]3[C@]1(Cl)C2(Cl)Cl
InChI
InChI=1S/C12H8Cl6/c13-8-9(14)11(16)7-5-2-1-4(3-5)6(7)10(8,15)12(11,17)18/h1-2,4-7H,3H2/t4-,5+,6-,7+,10-,11+
IUPAC
(1R,4S,4aS,5R,8S,8aR)-rel-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene
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
Isoprothiolane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H18 O4 S2
Molecular Weight
290.40
Accurate Mass
290.0647
SMILES
CC(C)OC(=O)C(=C1SCCS1)C(=O)OC(C)C
InChI
InChI=1S/C12H18O4S2/c1-7(2)15-10(13)9(11(14)16-8(3)4)12-17-5-6-18-12/h7-8H,5-6H2,1-4H3
IUPAC
dipropan-2-yl 2-(1,3-dithiolan-2-ylidene)propanedioate
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
Malathion
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H19 O6 P S2
Molecular Weight
330.36
Accurate Mass
330.0361
SMILES
CCOC(=O)CC(SP(=S)(OC)OC)C(=O)OCC
InChI
InChI=1S/C10H19O6PS2/c1-5-15-9(11)7-8(10(12)16-6-2)19-17(18,13-3)14-4/h8H,5-7H2,1-4H3
IUPAC
diethyl 2-dimethoxyphosphinothioylsulfanylbutanedioate
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
Methidathion
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H11 N2 O4 P S3
Molecular Weight
302.33
Accurate Mass
301.9619
SMILES
COC1=NN(CSP(=S)(OC)OC)C(=O)S1
InChI
InChI=1S/C6H11N2O4PS3/c1-10-5-7-8(6(9)16-5)4-15-13(14,11-2)12-3/h4H2,1-3H3
IUPAC
3-(dimethoxyphosphinothioylsulfanylmethyl)-5-methoxy-1,3,4-thiadiazol-2-one
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
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
Naled
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C4 H7 Br2 Cl2 O4 P
Molecular Weight
380.78
Accurate Mass
377.7826
SMILES
COP(=O)(OC)OC(Br)C(Cl)(Cl)Br
InChI
InChI=1S/C4H7Br2Cl2O4P/c1-10-13(9,11-2)12-3(5)4(6,7)8/h3H,1-2H3
IUPAC
(1,2-dibromo-2,2-dichloroethyl) dimethyl phosphate
Nitrofen
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H7 Cl2 N O3
Molecular Weight
284.09
Accurate Mass
282.9803
SMILES
[O-][N+](=O)c1ccc(Oc2ccc(Cl)cc2Cl)cc1
InChI
InChI=1S/C12H7Cl2NO3/c13-8-1-6-12(11(14)7-8)18-10-4-2-9(3-5-10)15(16)17/h1-7H
IUPAC
2,4-dichloro-1-(4-nitrophenoxy)benzene
Norflurazon
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H9 Cl F3 N3 O
Molecular Weight
303.67
Accurate Mass
303.0386
SMILES
CNC1=C(Cl)C(=O)N(N=C1)c2cccc(c2)C(F)(F)F
InChI
InChI=1S/C12H9ClF3N3O/c1-17-9-6-18-19(11(20)10(9)13)8-4-2-3-7(5-8)12(14,15)16/h2-6,17H,1H3
IUPAC
4-chloro-5-(methylamino)-2-[3-(trifluoromethyl)phenyl]pyridazin-3-one
O,O,O-Triethylphosphorothioate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H15 O3 P S
Molecular Weight
198.22
Accurate Mass
198.048
SMILES
CCOP(=S)(OCC)OCC
InChI
InChI=1S/C6H15O3PS/c1-4-7-10(11,8-5-2)9-6-3/h4-6H2,1-3H3
IUPAC
triethoxy(sulfanylidene)-?^{5}-phosphane
Omethoate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H12 N O4 P S
Molecular Weight
213.19
Accurate Mass
213.0225
SMILES
CNC(=O)CSP(=O)(OC)OC
InChI
InChI=1S/C5H12NO4PS/c1-6-5(7)4-12-11(8,9-2)10-3/h4H2,1-3H3,(H,6,7)
IUPAC
2-dimethoxyphosphorylsulfanyl-N-methylacetamide
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
Pebulate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H21 N O S
Molecular Weight
203.34
Accurate Mass
203.1344
SMILES
CCCCN(CC)C(=O)SCCC
InChI
InChI=1S/C10H21NOS/c1-4-7-8-11(6-3)10(12)13-9-5-2/h4-9H2,1-3H3
IUPAC
S-propyl N-butyl-N-ethylcarbamothioate
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
Phosalone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H15 Cl N O4 P S2
Molecular Weight
367.81
Accurate Mass
366.9869
SMILES
CCOP(=S)(OCC)SCN1C(=O)Oc2cc(Cl)ccc12
InChI
InChI=1S/C12H15ClNO4PS2/c1-3-16-19(20,17-4-2)21-8-14-10-6-5-9(13)7-11(10)18-12(14)15/h5-7H,3-4,8H2,1-2H3
IUPAC
6-chloro-3-(diethoxyphosphinothioylsulfanylmethyl)-1,3-benzoxazol-2-one
Phosmet
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H12 N O4 P S2
Molecular Weight
317.32
Accurate Mass
316.9945
SMILES
COP(=S)(OC)SCN1C(=O)c2ccccc2C1=O
InChI
InChI=1S/C11H12NO4PS2/c1-15-17(18,16-2)19-7-12-10(13)8-5-3-4-6-9(8)11(12)14/h3-6H,7H2,1-2H3
IUPAC
2-(dimethoxyphosphinothioylsulfanylmethyl)isoindole-1,3-dione
Phosphamidon
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H19 Cl N O5 P
Molecular Weight
299.69
Accurate Mass
299.0689
SMILES
CCN(CC)C(=O)\C(=C(\C)/OP(=O)(OC)OC)\Cl
InChI
InChI=1S/C10H19ClNO5P/c1-6-12(7-2)10(13)9(11)8(3)17-18(14,15-4)16-5/h6-7H2,1-5H3/b9-8+
IUPAC
[(E)-3-chloro-4-(diethylamino)-4-oxobut-2-en-2-yl] dimethyl phosphate
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
Prochloraz
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C15 H16 Cl3 N3 O2
Molecular Weight
376.67
Accurate Mass
375.0308
SMILES
CCCN(CCOc1c(Cl)cc(Cl)cc1Cl)C(=O)n2ccnc2
InChI
InChI=1S/C15H16Cl3N3O2/c1-2-4-20(15(22)21-5-3-19-10-21)6-7-23-14-12(17)8-11(16)9-13(14)18/h3,5,8-10H,2,4,6-7H2,1H3
IUPAC
N-propyl-N-[2-(2,4,6-trichlorophenoxy)ethyl]imidazole-1-carboxamide
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
Promecarb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H17 N O2
Molecular Weight
207.27
Accurate Mass
207.1259
SMILES
CNC(=O)Oc1cc(C)cc(c1)C(C)C
InChI
InChI=1S/C12H17NO2/c1-8(2)10-5-9(3)6-11(7-10)15-12(14)13-4/h5-8H,1-4H3,(H,13,14)
IUPAC
(3-methyl-5-propan-2-ylphenyl) N-methylcarbamate
Propyzamide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H11 Cl2 N O
Molecular Weight
256.13
Accurate Mass
255.0218
SMILES
CC(C)(NC(=O)c1cc(Cl)cc(Cl)c1)C#C
InChI
InChI=1S/C12H11Cl2NO/c1-4-12(2,3)15-11(16)8-5-9(13)7-10(14)6-8/h1,5-7H,2-3H3,(H,15,16)
IUPAC
3,5-dichloro-N-(2-methylbut-3-yn-2-yl)benzamide
Sulprofos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H19 O2 P S3
Molecular Weight
322.45
Accurate Mass
322.0285
SMILES
CCCSP(=S)(OCC)Oc1ccc(SC)cc1
InChI
InChI=1S/C12H19O2PS3/c1-4-10-18-15(16,13-5-2)14-11-6-8-12(17-3)9-7-11/h6-9H,4-5,10H2,1-3H3
IUPAC
ethoxy-(4-methylsulfanylphenoxy)-propylsulfanyl-sulfanylidene-?^{5}-phosphane
tau-Fluvalinate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C26 H22 Cl F3 N2 O3
Molecular Weight
502.91
Accurate Mass
502.1271
SMILES
CC(C)[C@@H](Nc1ccc(cc1Cl)C(F)(F)F)C(=O)OC(C#N)c2cccc(Oc3ccccc3)c2
InChI
InChI=1S/C26H22ClF3N2O3/c1-16(2)24(32-22-12-11-18(14-21(22)27)26(28,29)30)25(33)35-23(15-31)17-7-6-10-20(13-17)34-19-8-4-3-5-9-19/h3-14,16,23-24,32H,1-2H3/t23?,24-/m1/s1
IUPAC
[cyano-(3-phenoxyphenyl)methyl] (2R)-2-[2-chloro-4-(trifluoromethyl)anilino]-3-methylbutanoate
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
Terbacil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H13 Cl N2 O2
Molecular Weight
216.66
Accurate Mass
216.0666
SMILES
CC1=C(Cl)C(=O)N(C(=O)N1)C(C)(C)C
InChI
InChI=1S/C9H13ClN2O2/c1-5-6(10)7(13)12(8(14)11-5)9(2,3)4/h1-4H3,(H,11,14)
IUPAC
3-tert-butyl-5-chloro-6-methyl-1H-pyrimidine-2,4-dione
Terbumeton
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H19 N5 O
Molecular Weight
225.29
Accurate Mass
225.159
SMILES
CCNc1nc(NC(C)(C)C)nc(OC)n1
InChI
InChI=1S/C10H19N5O/c1-6-11-7-12-8(15-10(2,3)4)14-9(13-7)16-5/h6H2,1-5H3,(H2,11,12,13,14,15)
IUPAC
4-N-tert-butyl-2-N-ethyl-6-methoxy-1,3,5-triazine-2,4-diamine
Tetrachlorvinphos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H9 Cl4 O4 P
Molecular Weight
363.8992561
Accurate Mass
363.8993
SMILES
COP(=O)(OC)O\C(=C/Cl)\c1cc(Cl)c(Cl)cc1Cl
InChI
InChI=1S/C10H9Cl4O4P/c1-16-19(15,17-2)18-10(5-11)6-3-8(13)9(14)4-7(6)12/h3-5H,1-2H3/b10-5-
IUPAC
[(Z)-2-chloro-1-(2,4,5-trichlorophenyl)vinyl] dimethyl phosphate
Thionazin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H13 N2 O3 P S
Molecular Weight
248.24
Accurate Mass
248.0384
SMILES
CCOP(=S)(OCC)Oc1cnccn1
InChI
InChI=1S/C8H13N2O3PS/c1-3-11-14(15,12-4-2)13-8-7-9-5-6-10-8/h5-7H,3-4H2,1-2H3
IUPAC
diethoxy-pyrazin-2-yloxy-sulfanylidene-?^{5}-phosphane
trans-Nonachlor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H5 Cl9
Molecular Weight
444.22
Accurate Mass
439.7588
SMILES
Cl[C@@H]1[C@@H](Cl)[C@H]2[C@@H]([C@H]1Cl)[C@]3(Cl)C(=C(Cl)[C@@]2(Cl)C3(Cl)Cl)Cl
InChI
InChI=1S/C10H5Cl9/c11-3-1-2(4(12)5(3)13)9(17)7(15)6(14)8(1,16)10(9,18)19/h1-5H/t1-,2+,3+,4-,5-,8-,9+
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
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
Tributylphosphate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H27 O4 P
Molecular Weight
266.31
Accurate Mass
266.1647
SMILES
CCCCOP(=O)(OCCCC)OCCCC
InChI
InChI=1S/C12H27O4P/c1-4-7-10-14-17(13,15-11-8-5-2)16-12-9-6-3/h4-12H2,1-3H3
IUPAC
tributyl phosphate
Tricyclazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H7 N3 S
Molecular Weight
189.24
Accurate Mass
189.0361
SMILES
Cc1cccc2sc3nncn3c12
InChI
InChI=1S/C9H7N3S/c1-6-3-2-4-7-8(6)12-5-10-11-9(12)13-7/h2-5H,1H3
IUPAC
8-methyl-[1,2,4]triazolo[3,4-b][1,3]benzothiazole
Triphenylphosphate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H15 O4 P
Molecular Weight
326.28
Accurate Mass
326.0708
SMILES
O=P(Oc1ccccc1)(Oc2ccccc2)Oc3ccccc3
InChI
InChI=1S/C18H15O4P/c19-23(20-16-10-4-1-5-11-16,21-17-12-6-2-7-13-17)22-18-14-8-3-9-15-18/h1-15H
IUPAC
triphenyl phosphate
Vernolate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H21 N O S
Molecular Weight
203.34
Accurate Mass
203.1344
SMILES
CCCSC(=O)N(CCC)CCC
InChI
InChI=1S/C10H21NOS/c1-4-7-11(8-5-2)10(12)13-9-6-3/h4-9H2,1-3H3
IUPAC
S-propyl N,N-dipropylcarbamothioate
Product Data
Storage Temperature
-18°C
Shipping Temperature
+20°C
Country of Origin
UNITED STATES
Product Format
Mixture
Solvent
Isooctane:Toluene
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