Chinese Pharmacopoeia Pesticides Mixture 144 100 µg/mL in Acetonitrile
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- structure.search.product.name Chinese Pharmacopoeia Pesticides Mixture 144 100 µg/mL in Acetonitrile
- Product Code: DRE-A50000144AL
- Brand: Dr. Ehrenstorfer
Product Overview
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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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
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IUPAC
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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
Aldrin
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,5S,8R,8aR)-rel-1,2,3,4,10,10-Hexachloro-1,4,4a,5,8,8a-hexahydro-1,4:5,8-dimethanonaphthalene
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
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
Chlordimeform free base
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H13 Cl N2
Molecular Weight
196.68
Accurate Mass
196.0767
SMILES
CN(C)C=Nc1ccc(Cl)cc1C
InChI
InChI=1S/C10H13ClN2/c1-8-6-9(11)4-5-10(8)12-7-13(2)3/h4-7H,1-3H3
IUPAC
N'-(4-chloro-2-methylphenyl)-N,N-dimethylmethanimidamide
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
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
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
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
Dieldrin
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,2aS,3S,6R,6aR,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
Endosulfan-sulfate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H6 Cl6 O4 S
Molecular Weight
422.92
Accurate Mass
419.8118
SMILES
ClC1=C(Cl)[C@@]2(Cl)C3COS(=O)(=O)OCC3[C@]1(Cl)C2(Cl)Cl
InChI
InChI=1S/C9H6Cl6O4S/c10-5-6(11)8(13)4-2-19-20(16,17)18-1-3(4)7(5,12)9(8,14)15/h3-4H,1-2H2/t3?,4?,7-,8+
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
Fenamiphos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H22 N O3 P S
Molecular Weight
303.36
Accurate Mass
303.1058
SMILES
CCOP(=O)(NC(C)C)Oc1ccc(SC)c(C)c1
InChI
InChI=1S/C13H22NO3PS/c1-6-16-18(15,14-10(2)3)17-12-7-8-13(19-5)11(4)9-12/h7-10H,6H2,1-5H3,(H,14,15)
IUPAC
N-[ethoxy-(3-methyl-4-methylsulfanylphenoxy)phosphoryl]propan-2-amine
Fipronil
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Cl2 F6 N4 O S
Molecular Weight
437.15
Accurate Mass
435.9387
SMILES
Nc1c(c(nn1c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N)S(=O)C(F)(F)F
InChI
InChI=1S/C12H4Cl2F6N4OS/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)26(25)12(18,19)20/h1-2H,22H2
IUPAC
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfinyl)pyrazole-3-carbonitrile
Fipronil Sulfide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Cl2 F6 N4 S
Molecular Weight
421.15
Accurate Mass
419.9438
SMILES
Nc1c(SC(F)(F)F)c(nn1c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N
InChI
InChI=1S/C12H4Cl2F6N4S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)25-12(18,19)20/h1-2H,22H2
IUPAC
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfanyl)pyrazole-3-carbonitrile
Fipronil Sulfone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Cl2 F6 N4 O2 S
Molecular Weight
453.15
Accurate Mass
451.9336
SMILES
Nc1c(c(nn1c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N)S(=O)(=O)C(F)(F)F
InChI
InChI=1S/C12H4Cl2F6N4O2S/c13-5-1-4(11(15,16)17)2-6(14)8(5)24-10(22)9(7(3-21)23-24)27(25,26)12(18,19)20/h1-2H,22H2
IUPAC
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethylsulfonyl)pyrazole-3-carbonitrile
Fipronil-desulfinyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Cl2 F6 N4
Molecular Weight
389.08
Accurate Mass
387.9717
SMILES
Nc1c(c(nn1c2c(Cl)cc(cc2Cl)C(F)(F)F)C#N)C(F)(F)F
InChI
InChI=1S/C12H4Cl2F6N4/c13-5-1-4(11(15,16)17)2-6(14)9(5)24-10(22)8(12(18,19)20)7(3-21)23-24/h1-2H,22H2
IUPAC
5-amino-1-[2,6-dichloro-4-(trifluoromethyl)phenyl]-4-(trifluoromethyl)pyrazole-3-carbonitrile
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
Isocarbofos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H16 N O4 P S
Molecular Weight
289.29
Accurate Mass
289.0538
SMILES
COP(=S)(N)Oc1ccccc1C(=O)OC(C)C
InChI
InChI=1S/C11H16NO4PS/c1-8(2)15-11(13)9-6-4-5-7-10(9)16-17(12,18)14-3/h4-8H,1-3H3,(H2,12,18)
IUPAC
propan-2-yl 2-[amino(methoxy)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
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
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
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
Parathion-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H10 N O5 P S
Molecular Weight
263.21
Accurate Mass
263.0017
SMILES
COP(=S)(OC)Oc1ccc(cc1)[N+](=O)[O-]
InChI
InChI=1S/C8H10NO5PS/c1-12-15(16,13-2)14-8-5-3-7(4-6-8)9(10)11/h3-6H,1-2H3
IUPAC
dimethoxy-(4-nitrophenoxy)-sulfanylidene-?^{5}-phosphane
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
Phospholan-methyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H10 N O3 P S2
Molecular Weight
227.24
Accurate Mass
226.984
SMILES
COP(=O)(OC)N=C1SCCS1
InChI
InChI=1S/C5H10NO3PS2/c1-8-10(7,9-2)6-5-11-3-4-12-5/h3-4H2,1-2H3
IUPAC
N-dimethoxyphosphoryl-1,3-dithiolan-2-imine
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
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
Product Data
Storage Temperature
-18°C
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Product Format
Mixture
Solvent
Acetonitrile