NP Pesticide Mix 1- 90 compounds, 100 mg/L
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- structure.search.product.name NP Pesticide Mix 1- 90 compounds, 100 mg/L
- Product Code: O2SI-132116-10
- Brand: o2si
Product Overview
Product Code
O2SI-132116-10
CAS Number
89 AnalytesProduct Format
Mixture
Matrix
Acetone
Product Categories
Product Type
Native/ParentDocumentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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Heptachlor-exo-epoxide (cis-, isomer B)
100 mg/L
PCB 47 (2,2',4,4'-Tetrachlorobiphenyl)
100 mg/L
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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
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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
(EZ)-Tetrachlorvinphos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H9 Cl4 O4 P
Molecular Weight
365.96
Accurate Mass
363.8993
SMILES
COP(=O)(OC)OC(=CCl)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
IUPAC
[2-chloro-1-(2,4,5-trichlorophenyl)ethenyl] dimethyl phosphate
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'-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
Acenaphthylene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H8
Molecular Weight
152.19
Accurate Mass
152.0626
SMILES
C1=Cc2cccc3cccc1c23
InChI
InChI=1S/C12H8/c1-3-9-4-2-6-11-8-7-10(5-1)12(9)11/h1-8H
IUPAC
acenaphthylene
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
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
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
Ametryn
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H17 N5 S
Molecular Weight
227.33
Accurate Mass
227.1205
SMILES
CCNc1nc(NC(C)C)nc(SC)n1
InChI
InChI=1S/C9H17N5S/c1-5-10-7-12-8(11-6(2)3)14-9(13-7)15-4/h6H,5H2,1-4H3,(H2,10,11,12,13,14)
IUPAC
4-N-ethyl-6-methylsulfanyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Anthracene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H10
Molecular Weight
178.23
Accurate Mass
178.0783
SMILES
c1ccc2cc3ccccc3cc2c1
InChI
InChI=1S/C14H10/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H
IUPAC
anthracene
Atrazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H14 Cl N5
Molecular Weight
215.68
Accurate Mass
215.0938
SMILES
CCNc1nc(Cl)nc(NC(C)C)n1
InChI
InChI=1S/C8H14ClN5/c1-4-10-7-12-6(9)13-8(14-7)11-5(2)3/h5H,4H2,1-3H3,(H2,10,11,12,13,14)
IUPAC
6-chloro-4-N-ethyl-2-N-propan-2-yl-1,3,5-triazine-2,4-diamine
Benz[a]anthracene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H12
Molecular Weight
228.29
Accurate Mass
228.0939
SMILES
c1ccc2cc3c(ccc4ccccc34)cc2c1
InChI
InChI=1S/C18H12/c1-2-7-15-12-18-16(11-14(15)6-1)10-9-13-5-3-4-8-17(13)18/h1-12H
IUPAC
benzo[a]anthracene
Benzo(k)fluoranthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H12
Molecular Weight
252.31
Accurate Mass
252.0939
SMILES
c1ccc2cc3c(cc2c1)c4cccc5cccc3c45
InChI
InChI=1S/C20H12/c1-2-6-15-12-19-17-10-4-8-13-7-3-9-16(20(13)17)18(19)11-14(15)5-1/h1-12H
IUPAC
benzo[k]fluoranthene
Benzo[a]pyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H12
Molecular Weight
252.31
Accurate Mass
252.0939
SMILES
c1ccc2c(c1)cc3ccc4cccc5ccc2c3c45
InChI
InChI=1S/C20H12/c1-2-7-17-15(4-1)12-16-9-8-13-5-3-6-14-10-11-18(17)20(16)19(13)14/h1-12H
IUPAC
benzo[a]pyrene
Benzo[b]fluoranthene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C20 H12
Molecular Weight
252.31
Accurate Mass
252.0939
SMILES
c1ccc2c(c1)c3cccc4c5ccccc5cc2c34
InChI
InChI=1S/C20H12/c1-2-7-14-13(6-1)12-19-16-9-4-3-8-15(16)18-11-5-10-17(14)20(18)19/h1-12H
IUPAC
Benzo[b]fluoranthene
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
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
Butachlor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H26 Cl N O2
Molecular Weight
311.85
Accurate Mass
311.1652
SMILES
CCCCOCN(C(=O)CCl)c1c(CC)cccc1CC
InChI
InChI=1S/C17H26ClNO2/c1-4-7-11-21-13-19(16(20)12-18)17-14(5-2)9-8-10-15(17)6-3/h8-10H,4-7,11-13H2,1-3H3
IUPAC
N-(butoxymethyl)-2-chloro-N-(2,6-diethylphenyl)acetamide
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
Chlorobenzilate
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H14 Cl2 O3
Molecular Weight
325.19
Accurate Mass
324.032
SMILES
CCOC(=O)C(O)(c1ccc(Cl)cc1)c2ccc(Cl)cc2
InChI
InChI=1S/C16H14Cl2O3/c1-2-21-15(19)16(20,11-3-7-13(17)8-4-11)12-5-9-14(18)10-6-12/h3-10,20H,2H2,1H3
IUPAC
ethyl 2,2-bis(4-chlorophenyl)-2-hydroxyacetate
Chloroneb
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H8 Cl2 O2
Molecular Weight
207.05
Accurate Mass
205.9901
SMILES
COc1cc(Cl)c(OC)cc1Cl
InChI
InChI=1S/C8H8Cl2O2/c1-11-7-3-6(10)8(12-2)4-5(7)9/h3-4H,1-2H3
IUPAC
1,4-dichloro-2,5-dimethoxybenzene
Chlorpropham
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H12 Cl N O2
Molecular Weight
213.66
Accurate Mass
213.0557
SMILES
CC(C)OC(=O)Nc1cccc(Cl)c1
InChI
InChI=1S/C10H12ClNO2/c1-7(2)14-10(13)12-9-5-3-4-8(11)6-9/h3-7H,1-2H3,(H,12,13)
IUPAC
propan-2-yl N-(3-chlorophenyl)carbamate
Chlorpyrifos
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H11 Cl3 N O3 P S
Molecular Weight
350.59
Accurate Mass
348.9263
SMILES
CCOP(=S)(OCC)Oc1nc(Cl)c(Cl)cc1Cl
InChI
InChI=1S/C9H11Cl3NO3PS/c1-3-14-17(18,15-4-2)16-9-7(11)5-6(10)8(12)13-9/h5H,3-4H2,1-2H3
IUPAC
diethoxy-sulfanylidene-(3,5,6-trichloropyridin-2-yl)oxy-?^{5}-phosphane
Chlorthal-dimethyl
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H6 Cl4 O4
Molecular Weight
331.96
Accurate Mass
329.902
SMILES
COC(=O)c1c(Cl)c(Cl)c(C(=O)OC)c(Cl)c1Cl
InChI
InChI=1S/C10H6Cl4O4/c1-17-9(15)3-5(11)7(13)4(10(16)18-2)8(14)6(3)12/h1-2H3
IUPAC
dimethyl 2,3,5,6-tetrachlorobenzene-1,4-dicarboxylate
Chrysene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C18 H12
Molecular Weight
228.29
Accurate Mass
228.0939
SMILES
c1ccc2c(c1)ccc3c4ccccc4ccc23
InChI
InChI=1S/C18H12/c1-3-7-15-13(5-1)9-11-18-16-8-4-2-6-14(16)10-12-17(15)18/h1-12H
IUPAC
chrysene
Cis-Chlordane (Alpha Isomer)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H6 Cl8
Molecular Weight
409.78
Accurate Mass
405.7978
SMILES
Cl[C@H]1C[C@H]2[C@@H]([C@H]1Cl)[C@@]3(Cl)C(=C(Cl)[C@]2(Cl)C3(Cl)Cl)Cl
InChI
InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3-,4-,5-,8-,9+/m0/s1
IUPAC
1,3,4,7,8,9,10,10-octachlorotricyclo[5.2.1.02,6]dec-8-ene
cis-Permethrin (mix of isomers)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C21H20Cl2O3
Molecular Weight
391.29
Accurate Mass
390.079
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-/m0/s1
IUPAC
(3-phenoxyphenyl)methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
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
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
Dibenzo(a,h)anthracene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H14
Molecular Weight
278.35
Accurate Mass
278.1096
SMILES
c1ccc2c(c1)ccc3cc4c(ccc5ccccc45)cc23
InChI
InChI=1S/C22H14/c1-3-7-19-15(5-1)9-11-17-14-22-18(13-21(17)19)12-10-16-6-2-4-8-20(16)22/h1-14H
IUPAC
naphtho[1,2-b]phenanthrene
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
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
Diphenamid
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H17 N O
Molecular Weight
239.31
Accurate Mass
239.131
SMILES
CN(C)C(=O)C(c1ccccc1)c2ccccc2
InChI
InChI=1S/C16H17NO/c1-17(2)16(18)15(13-9-5-3-6-10-13)14-11-7-4-8-12-14/h3-12,15H,1-2H3
IUPAC
N,N-dimethyl-2,2-diphenylacetamide
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+
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
(1S,2S,3S,6R,7R,8R,9R,11S)-3,4,5,6,13,13-hexachloro-10-oxapentacyclo[6.3.1.13,6.02,7.09,11]tridec-4-ene
Endrin-aldehyde
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H8 Cl6 O
Molecular Weight
380.91
Accurate Mass
377.8706
SMILES
ClC1(Cl)[C@]2(Cl)[C@@H]3[C@H](C[C@H]4[C@@H]3[C@]1(Cl)[C@]5(Cl)[C@@H]4[C@]25Cl)C=O
InChI
InChI=1S/C12H8Cl6O/c13-8-5-3(2-19)1-4-6(5)9(14,12(8,17)18)11(16)7(4)10(8,11)15/h2-7H,1H2/t3-,4+,5-,6+,7+,8+,9+,10+,11-/m1/s1
IUPAC
rel-(1R,2R,2aR,4S,4aS,5R,6aR,6bR,7S)-2,2a,3,3,4,7-hexachlorodecahydro-1,2,4-methenocyclopenta[cd]pentalene-5-carboxaldehyde
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
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
Etridiazole
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C5 H5 Cl3 N2 O S
Molecular Weight
247.53
Accurate Mass
245.9188
SMILES
CCOc1nc(ns1)C(Cl)(Cl)Cl
InChI
InChI=1S/C5H5Cl3N2OS/c1-2-11-4-9-3(10-12-4)5(6,7)8/h2H2,1H3
IUPAC
5-ethoxy-3-(trichloromethyl)-1,2,4-thiadiazole
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
Fluorene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H10
Molecular Weight
166.22
Accurate Mass
166.0783
SMILES
C1c2ccccc2c3ccccc13
InChI
InChI=1S/C13H10/c1-3-7-12-10(5-1)9-11-6-2-4-8-13(11)12/h1-8H,9H2
IUPAC
9H-fluorene
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
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
Heptachlor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H5 Cl7
Molecular Weight
373.32
Accurate Mass
369.8211
SMILES
ClC1C=CC2C1[C@@]3(Cl)C(=C(Cl)[C@]2(Cl)C3(Cl)Cl)Cl
InChI
InChI=1S/C10H5Cl7/c11-4-2-1-3-5(4)9(15)7(13)6(12)8(3,14)10(9,16)17/h1-5H/t3?,4?,5?,8-,9+/m0/s1
IUPAC
1,4,5,6,7,8,8-Heptachloro-3a,4,7,7a-tetrahydro-4,7-methano-1H-indene
Heptachlor-exo-epoxide (cis-, isomer B)
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
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
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
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
Indeno[1,2,3-cd]pyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C22 H12
Molecular Weight
276.33
Accurate Mass
276.0939
SMILES
c1ccc2c(c1)c3ccc4ccc5cccc6cc2c3c4c56
InChI
InChI=1S/C22H12/c1-2-7-17-16(6-1)18-11-10-14-9-8-13-4-3-5-15-12-19(17)22(18)21(14)20(13)15/h1-12H
IUPAC
Indeno(1,2,3-c,d)pyrene
Isophorone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H14 O
Molecular Weight
138.21
Accurate Mass
138.1045
SMILES
CC1=CC(=O)CC(C)(C)C1
InChI
InChI=1S/C9H14O/c1-7-4-8(10)6-9(2,3)5-7/h4H,5-6H2,1-3H3
IUPAC
3,5,5-trimethylcyclohex-2-en-1-one
Methoxychlor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H15 Cl3 O2
Molecular Weight
345.65
Accurate Mass
344.0138
SMILES
COc1ccc(cc1)C(c2ccc(OC)cc2)C(Cl)(Cl)Cl
InChI
InChI=1S/C16H15Cl3O2/c1-20-13-7-3-11(4-8-13)15(16(17,18)19)12-5-9-14(21-2)10-6-12/h3-10,15H,1-2H3
IUPAC
1-methoxy-4-[2,2,2-trichloro-1-(4-methoxyphenyl)ethyl]benzene
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
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
MGK 264
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H25 N O2
Molecular Weight
275.39
Accurate Mass
275.1885
SMILES
CCCCC(CC)CN1C(=O)C2[C@@H]3C[C@@H](C=C3)C2C1=O
InChI
InChI=1S/C17H25NO2/c1-3-5-6-11(4-2)10-18-16(19)14-12-7-8-13(9-12)15(14)17(18)20/h7-8,11-15H,3-6,9-10H2,1-2H3/t11?,12-,13+,14?,15?
IUPAC
N-(2-Ethylhexyl)-5-norbornen-2,3-dicarboximide
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
Napropamide
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C17 H21 N O2
Molecular Weight
271.35
Accurate Mass
271.1572
SMILES
CCN(CC)C(=O)C(C)Oc1cccc2ccccc12
InChI
InChI=1S/C17H21NO2/c1-4-18(5-2)17(19)13(3)20-16-12-8-10-14-9-6-7-11-15(14)16/h6-13H,4-5H2,1-3H3
IUPAC
N,N-diethyl-2-naphthalen-1-yloxypropanamide
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
PCB 47 (2,2',4,4'-Tetrachlorobiphenyl)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H6 Cl4
Molecular Weight
291.99
Accurate Mass
289.9224
SMILES
Clc1ccc(c(Cl)c1)c2ccc(Cl)cc2Cl
InChI
InChI=1S/C12H6Cl4/c13-7-1-3-9(11(15)5-7)10-4-2-8(14)6-12(10)16/h1-6H
IUPAC
2,4-dichloro-1-(2,4-dichlorophenyl)benzene
PCB 5 (2,3-Dichlorobiphenyl)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H8 Cl2
Molecular Weight
223.10
Accurate Mass
222.0003
SMILES
Clc1cccc(c1Cl)c2ccccc2
InChI
InChI=1S/C12H8Cl2/c13-11-8-4-7-10(12(11)14)9-5-2-1-3-6-9/h1-8H
IUPAC
1,2-dichloro-3-phenylbenzene
PCB No. 1
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H9 Cl
Molecular Weight
188.65
Accurate Mass
188.0393
SMILES
Clc1ccccc1c2ccccc2
InChI
InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
IUPAC
1-chloro-2-phenylbenzene
PCB No. 154
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Cl6
Molecular Weight
360.88
Accurate Mass
357.8444
SMILES
Clc1cc(Cl)c(c(Cl)c1)c2cc(Cl)c(Cl)cc2Cl
InChI
InChI=1S/C12H4Cl6/c13-5-1-10(17)12(11(18)2-5)6-3-8(15)9(16)4-7(6)14/h1-4H
IUPAC
1,2,4-trichloro-5-(2,4,6-trichlorophenyl)benzene
PCB No. 171
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H3 Cl7
Molecular Weight
395.32
Accurate Mass
391.8054
SMILES
Clc1ccc(c(Cl)c1Cl)c2c(Cl)cc(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12H3Cl7/c13-5-2-1-4(9(16)10(5)17)8-6(14)3-7(15)11(18)12(8)19/h1-3H
IUPAC
1,2,3,5-tetrachloro-4-(2,3,4-trichlorophenyl)benzene
PCB No. 201
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H2 Cl8
Molecular Weight
429.77
Accurate Mass
425.7665
SMILES
Clc1cc(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl
InChI
InChI=1S/C12H2Cl8/c13-3-1-6(16)11(19)12(20)7(3)8-9(17)4(14)2-5(15)10(8)18/h1-2H
IUPAC
1,2,3,5-tetrachloro-4-(2,3,5,6-tetrachlorophenyl)benzene
PCB No. 29
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H7 Cl3
Molecular Weight
257.54
Accurate Mass
255.9613
SMILES
Clc1cc(Cl)c(cc1Cl)c2ccccc2
InChI
InChI=1S/C12H7Cl3/c13-10-7-12(15)11(14)6-9(10)8-4-2-1-3-5-8/h1-7H
IUPAC
1,2,4-trichloro-5-phenylbenzene
PCB No. 98
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H5 Cl5
Molecular Weight
326.43
Accurate Mass
323.8834
SMILES
Clc1cc(Cl)c(c(Cl)c1)c2cccc(Cl)c2Cl
InChI
InChI=1S/C12H5Cl5/c13-6-4-9(15)11(10(16)5-6)7-2-1-3-8(14)12(7)17/h1-5H
IUPAC
1,3,5-trichloro-2-(2,3-dichlorophenyl)benzene
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
Phenanthrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C14 H10
Molecular Weight
178.23
Accurate Mass
178.0783
SMILES
c1ccc2c(c1)ccc3ccccc23
InChI
InChI=1S/C14H10/c1-3-7-13-11(5-1)9-10-12-6-2-4-8-14(12)13/h1-10H
IUPAC
phenanthrene
Prometryn
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H19 N5 S
Molecular Weight
241.36
Accurate Mass
241.1361
SMILES
CSc1nc(NC(C)C)nc(NC(C)C)n1
InChI
InChI=1S/C10H19N5S/c1-6(2)11-8-13-9(12-7(3)4)15-10(14-8)16-5/h6-7H,1-5H3,(H2,11,12,13,14,15)
IUPAC
6-methylsulfanyl-2-N,4-N-di(propan-2-yl)-1,3,5-triazine-2,4-diamine
Propachlor
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C11 H14 Cl N O
Molecular Weight
211.69
Accurate Mass
211.0764
SMILES
CC(C)N(C(=O)CCl)c1ccccc1
InChI
InChI=1S/C11H14ClNO/c1-9(2)13(11(14)8-12)10-6-4-3-5-7-10/h3-7,9H,8H2,1-2H3
IUPAC
2-chloro-N-phenyl-N-propan-2-ylacetamide
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
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
Pyrene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C16 H10
Molecular Weight
202.25
Accurate Mass
202.0783
SMILES
c1cc2ccc3cccc4ccc(c1)c2c34
InChI
InChI=1S/C16H10/c1-3-11-7-9-13-5-2-6-14-10-8-12(4-1)15(11)16(13)14/h1-10H
IUPAC
pyrene
Simazine
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C7 H12 Cl N5
Molecular Weight
201.66
Accurate Mass
201.0781
SMILES
CCNc1nc(Cl)nc(NCC)n1
InChI
InChI=1S/C7H12ClN5/c1-3-9-6-11-5(8)12-7(13-6)10-4-2/h3-4H2,1-2H3,(H2,9,10,11,12,13)
IUPAC
6-chloro-2-N,4-N-diethyl-1,3,5-triazine-2,4-diamine
Simetryn
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C8 H15 N5 S
Molecular Weight
213.30
Accurate Mass
213.1048
SMILES
CCNc1nc(NCC)nc(SC)n1
InChI
InChI=1S/C8H15N5S/c1-4-9-6-11-7(10-5-2)13-8(12-6)14-3/h4-5H2,1-3H3,(H2,9,10,11,12,13)
IUPAC
2-N,4-N-diethyl-6-methylsulfanyl-1,3,5-triazine-2,4-diamine
Tebuthiuron
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C9 H16 N4 O S
Molecular Weight
228.31
Accurate Mass
228.1045
SMILES
CNC(=O)N(C)c1nnc(s1)C(C)(C)C
InChI
InChI=1S/C9H16N4OS/c1-9(2,3)6-11-12-8(15-6)13(5)7(14)10-4/h1-5H3,(H,10,14)
IUPAC
1-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-1,3-dimethylurea
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
Terbutryn
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H19 N5 S
Molecular Weight
241.36
Accurate Mass
241.1361
SMILES
CCNc1nc(NC(C)(C)C)nc(SC)n1
InChI
InChI=1S/C10H19N5S/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-methylsulfanyl-1,3,5-triazine-2,4-diamine
Trans-Chlordane (Gamma Isomer)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H6 Cl8
Molecular Weight
409.78
Accurate Mass
405.7978
SMILES
Cl[C@@H]1C[C@H]2[C@@H]([C@H]1Cl)[C@@]3(Cl)C(=C(Cl)[C@]2(Cl)C3(Cl)Cl)Cl
InChI
InChI=1S/C10H6Cl8/c11-3-1-2-4(5(3)12)9(16)7(14)6(13)8(2,15)10(9,17)18/h2-5H,1H2/t2-,3+,4-,5-,8-,9+/m0/s1
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)C2C([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-
IUPAC
(1S,3R,5S,7R)-1,3,4,5,7,8,9,10,10-nonachlorotricyclo[5.2.1.02,6]dec-8-ene
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
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
Trifluralin
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C13 H16 F3 N3 O4
Molecular Weight
335.28
Accurate Mass
335.1093
SMILES
CCCN(CCC)c1c(cc(cc1[N+](=O)[O-])C(F)(F)F)[N+](=O)[O-]
InChI
InChI=1S/C13H16F3N3O4/c1-3-5-17(6-4-2)12-10(18(20)21)7-9(13(14,15)16)8-11(12)19(22)23/h7-8H,3-6H2,1-2H3
IUPAC
2,6-dinitro-N,N-dipropyl-4-(trifluoromethyl)aniline
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
Matrix
Acetone
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