Expanded Pops Pesticides Cal Soln W/ Endosulfan Sulfate CS4 (UNL/13C,99%) In Nonane/Isooctane
Product Code
CIL-ES-5464-A-CS4
CAS Number
58 AnalytesProduct Format
Mixture
Matrix
Nonane: Isooctane
Product Categories
Product Type
Stable Isotope LabelledPrice and availability
Product Information
Analyte Data
Analyte Name
Concentration
CAS Number
Molecular Structure
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2,3',4',5-Tetrachlorobiphenyl 13C12
20 ng/mL
cis-Heptachlor-exo-epoxide (Isomer B) 13C10
20 ng/mL
-
Heptachlor-endo-epoxide (trans-, isomer A)
40 ng/mL
Heptachlor-exo-epoxide (cis-, isomer B)
40 ng/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
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IUPAC
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2,2'-Dichlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H8 Cl2
Molecular Weight
235.01
Accurate Mass
234.0406
SMILES
Cl[13c]1[13cH][13cH][13cH][13cH][13c]1[13c]2[13cH][13cH][13cH][13cH][13c]2Cl
InChI
InChI=1S/C12H8Cl2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1-chloro-2-(6-chloro(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
2,3',4',5-Tetrachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H6 Cl4
Molecular Weight
303.90
Accurate Mass
301.9626
SMILES
Cl[13c]1[13cH][13cH][13c](Cl)[13c]([13cH]1)[13c]2[13cH][13cH][13c](Cl)[13c](Cl)[13cH]2
InChI
InChI=1S/C12H6Cl4/c13-8-2-4-10(14)9(6-8)7-1-3-11(15)12(16)5-7/h1-6H/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1,2-dichloro-4-(2,5-dichloro(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
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
ClC(Cl)C(c1ccc(Cl)cc1)c2ccccc2Cl
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'-DDD ring-13C12
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 C2 H10 Cl4
Molecular Weight
331.95
Accurate Mass
329.994
SMILES
ClC(Cl)C([13c]1[13cH][13cH][13c](Cl)[13cH][13cH]1)[13c]2[13cH][13cH][13cH][13cH][13c]2Cl
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/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1-chloro-2-[2,2-dichloro-1-(4-chloro(1,2,3,4,5,6-13C6)phenyl)ethyl](1,2,3,4,5,6-13C6)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'-DDE ring-13C12
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 C2 H8 Cl4
Molecular Weight
329.94
Accurate Mass
327.978
SMILES
Cl[13c]1[13cH][13cH][13c]([13cH][13cH]1)C(=C(Cl)Cl)[13c]2[13cH][13cH][13cH][13cH][13c]2Cl
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/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1-chloro-2-[2,2-dichloro-1-(4-chloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)vinyl](1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
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
2,4'-DDT 13C12 (benzene 13C12)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 C2 H9 Cl5
Molecular Weight
366.40
Accurate Mass
363.9549
SMILES
Cl[13c]1[13cH][13cH][13c]([13cH][13cH]1)C([13c]2[13cH][13cH][13cH][13cH][13c]2Cl)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/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1-chloro-2-[2,2,2-trichloro-1-(4-chloro(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)ethyl](1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
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'-DDD ring-13C12
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 C2 H10 Cl4
Molecular Weight
331.95
Accurate Mass
329.9939
SMILES
ClC(Cl)C([13c]1[13cH][13cH][13c](Cl)[13cH][13cH]1)[13c]2[13cH][13cH][13c](Cl)[13cH][13cH]2
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/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1-chloro-4-[2,2-dichloro-1-(4-chloro(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)ethyl](1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
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'-DDE (Ring 13C12)
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 C2 H8 Cl4
Molecular Weight
329.937
Accurate Mass
327.9783
SMILES
Cl[13c]1[13cH][13cH][13c]([13cH][13cH]1)C(=C(Cl)Cl)[13c]2[13cH][13cH][13c](Cl)[13cH][13cH]2
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/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1-chloro-4-[2,2-dichloro-1-(4-chloro(1,2,3,4,5,6-^13C_6)cyclohexa-1,3,5-trien-1-yl)vinyl](1,2,3,4,5,6-^13C_6)cyclohexa-1,3,5-triene
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
4,4'-DDT 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 C2 H9 Cl5
Molecular Weight
366.40
Accurate Mass
363.9549
SMILES
Cl[13c]1[13cH][13cH][13c]([13cH][13cH]1)C([13c]2[13cH][13cH][13c](Cl)[13cH][13cH]2)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/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
IUPAC
1-chloro-4-[2,2,2-trichloro-1-(4-chloro(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-trien-1-yl)ethyl](1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
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
Aldrin 13C12
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H8 Cl6
Molecular Weight
376.82
Accurate Mass
373.916
SMILES
Cl[13C]1=[13C](Cl)[13C@]2(Cl)[13C@@H]3[13C@@H]4[13CH2][13C@@H]([13CH]=[13CH]4)[13C@@H]3[13C@@]1(Cl)[13C]2(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-/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
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-Endosulfan-13C9
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C9 H6 Cl6 O3 S
Molecular Weight
415.86
Accurate Mass
412.8471
SMILES
Cl[13C]1=[13C](Cl)[13C@@]2(Cl)[13C@H]3[13CH2]O[S@@](=O)O[13CH2][13C@H]3[13C@]1(Cl)[13C]2(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+/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1
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
alpha-HCH 13C6
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
13C6 H6 Cl6
Molecular Weight
296.79
Accurate Mass
293.8802
SMILES
Cl[13C@@H]1[13C@@H](Cl)[13C@@H](Cl)[13C@H](Cl)[13C@@H](Cl)[13C@@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/i1+1,2+1,3+1,4+1,5+1,6+1
IUPAC
1,2,3,4,5,6-hexachloro(1,2,3,4,5,6-^{13}C_{6})cyclohexane
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-Endosulfan-13C9
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C9 H6 Cl6 O3 S
Molecular Weight
415.86
Accurate Mass
412.8471
SMILES
Cl[13C]1=[13C](Cl)[13C@@]2(Cl)[13C@H]3[13CH2]O[S@](=O)O[13CH2][13C@H]3[13C@]1(Cl)[13C]2(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-/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1
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
beta-HCH-13C6
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C6 H6 Cl6
Molecular Weight
296.79
Accurate Mass
293.8802
SMILES
Cl[13C@@H]1[13C@@H](Cl)[13C@H](Cl)[13C@@H](Cl)[13C@H](Cl)[13C@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-/i1+1,2+1,3+1,4+1,5+1,6+1
IUPAC
1,2,3,4,5,6-hexachloro(1,2,3,4,5,6-^{13}C_{6})cyclohexane
Chlordecone
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 Cl10 O
Molecular Weight
490.64
Accurate Mass
485.6834
SMILES
ClC1(Cl)[C@]2(Cl)[C@]3(Cl)[C@]4(Cl)C(=O)[C@]5(Cl)[C@@]3(Cl)[C@@]1(Cl)[C@]5(Cl)[C@]24Cl
InChI
InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/t2-,3+,4-,5-,6-,7-,8+,9-/m0/s1
Chlordecone-13C10
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C10 Cl10 O
Molecular Weight
500.56
Accurate Mass
495.717
SMILES
Cl[13C]1(Cl)[13C@]2(Cl)[13C@]3(Cl)[13C@]4(Cl)[13C](=O)[13C@]5(Cl)[13C@@]3(Cl)[13C@@]1(Cl)[13C]5(Cl)[13C@]24Cl
InChI
InChI=1S/C10Cl10O/c11-2-1(21)3(12)6(15)4(2,13)8(17)5(2,14)7(3,16)9(6,18)10(8,19)20/t2-,3+,4-,5-,6?,7-,8+,9-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1
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
cis-Chlordane 13C10
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C10 H6 Cl8
Molecular Weight
419.71
Accurate Mass
415.8313
SMILES
Cl[13C@H]1[13CH2][13C@H]2[13C@@H]([13C@H]1Cl)[13C@@]3(Cl)[13C](=[13C](Cl)[13C@]2(Cl)[13C]3(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/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1
cis-Heptachlor-exo-epoxide (Isomer B) 13C10
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C10 H5 Cl7 O
Molecular Weight
399.24
Accurate Mass
395.8496
SMILES
Cl[13C@H]1[13C@H]2O[13C@H]2[13C@H]3[13C@@H]1[13C@@]4(Cl)[13C](=[13C](Cl)[13C@]3(Cl)[13C]4(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/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1
cis-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+
cis-Nonachlor-13C10
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C10 H5 Cl9
Molecular Weight
454.15
Accurate Mass
449.7923
SMILES
Cl[13C@H]1[13C@@H](Cl)[13C@H]2[13C@@H]([13C@H]1Cl)[13C@]3(Cl)[13C](=[13C](Cl)[13C@@]2(Cl)[13C]3(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+/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1
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
delta-HCH 13C6
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C6 H6 Cl6
Molecular Weight
296.78
Accurate Mass
293.88
SMILES
Cl[13C@@H]1[13C@@H](Cl)[13C@H](Cl)[13C@@H](Cl)[13C@H](Cl)[13C@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-/i1+1,2+1,3+1,4+1,5+1,6+1
IUPAC
1,2,3,4,5,6-hexachloro(1,2,3,4,5,6-^{13}C_{6})cyclohexane
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
Dieldrin-13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H8 Cl6 O
Molecular Weight
392.82
Accurate Mass
389.9109
SMILES
Cl[13C]1=[13C](Cl)[13C@@]2(Cl)[13C@H]3[13C@H]4[13CH2][13C@H]([13C@@H]5O[13C@H]45)[13C@H]3[13C@]1(Cl)[13C]2(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-/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
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+
Endosulfan-sulfate-13C9
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C9 H6 Cl6 O4 S
Molecular Weight
431.86
Accurate Mass
428.842
SMILES
Cl[13C]1=[13C](Cl)[13C@]2(Cl)[13CH]3[13CH2]OS(=O)(=O)O[13CH2][13CH]3[13C@@]1(Cl)[13C]2(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+/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1
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
Endrin-13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H8 Cl6 O
Molecular Weight
392.82
Accurate Mass
389.9109
SMILES
Cl[13C]1=[13C](Cl)[13C@@]2(Cl)[13C@H]3[13C@@H]4[13CH2][13C@@H]([13C@H]5O[13C@@H]45)[13C@H]3[13C@]1(Cl)[13C]2(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+/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
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
gamma-HCH-13C6
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C6 H6 Cl6
Molecular Weight
296.79
Accurate Mass
293.8802
SMILES
Cl[13C@@H]1[13C@@H](Cl)[13C@@H](Cl)[13C@H](Cl)[13C@@H](Cl)[13C@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+/i1+1,2+1,3+1,4+1,5+1,6+1
IUPAC
1,2,3,4,5,6-hexachloro(1,2,3,4,5,6-^{13}C_{6})cyclohexane
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 13C10
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C10 H5 Cl7
Molecular Weight
383.24
Accurate Mass
379.8546
SMILES
Cl[13CH]1[13CH]=[13CH][13CH]2[13CH]1[13C@@]3(Cl)[13C](=[13C](Cl)[13C@]2(Cl)[13C]3(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/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1
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
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
Hexachlorobenzene 13C6
CAS Number
Alternate CAS Number
Unlabelled CAS Number
-
Molecular Formula
13C6 Cl6
Molecular Weight
290.74
Accurate Mass
287.8332
SMILES
Cl[13c]1[13c](Cl)[13c](Cl)[13c](Cl)[13c](Cl)[13c]1Cl
InChI
InChI=1S/C6Cl6/c7-1-2(8)4(10)6(12)5(11)3(1)9/i1+1,2+1,3+1,4+1,5+1,6+1
IUPAC
1,2,3,4,5,6-hexachloro(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
Isodrin-13C12
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H8 Cl6
Molecular Weight
376.82
Accurate Mass
373.916
SMILES
Cl[13C]1=[13C](Cl)[13C@@]2(Cl)[13C@H]3[13C@H]4[13CH2][13C@H]([13CH]=[13CH]4)[13C@H]3[13C@]1(Cl)[13C]2(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-/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1
Mirex
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 Cl12
Molecular Weight
545.54
Accurate Mass
539.6262
SMILES
ClC1(Cl)[C@@]2(Cl)[C@]3(Cl)[C@@]4(Cl)C(Cl)(Cl)[C@]5(Cl)[C@@](Cl)([C@@]1(Cl)[C@]35Cl)[C@@]24Cl
InChI
InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18/t1-,2-,3-,4-,5-,6+,7+,8-
Mirex-13C10
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C10 Cl12
Molecular Weight
555.47
Accurate Mass
549.6598
SMILES
Cl[13C]1(Cl)[13C@@]2(Cl)[13C@]3(Cl)[13C@@]4(Cl)[13C](Cl)(Cl)[13C@]5(Cl)[13C@@](Cl)([13C@@]1(Cl)[13C@]35Cl)[13C@@]24Cl
InChI
InChI=1S/C10Cl12/c11-1-2(12)7(17)4(14)3(13,5(1,15)9(7,19)20)6(1,16)10(21,22)8(2,4)18/t1-,2-,3-,4-,5-,6+,7+,8-/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1
oxy-Chlordane
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C10 H4 Cl8 O
Molecular Weight
423.76
Accurate Mass
419.777
SMILES
Cl[C@@H]1[C@@H]2[C@H]([C@@H]3O[C@]13Cl)[C@]4(Cl)C(=C(Cl)[C@@]2(Cl)C4(Cl)Cl)Cl
InChI
InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H/t1-,2+,3+,6-,7+,8-,9+/m0/s1
Oxychlordane-13C10
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C10 H4 Cl8 O
Molecular Weight
433.69
Accurate Mass
429.8106
SMILES
Cl[13C@@H]1[13C@@H]2[13C@H]([13C@@H]3O[13C@]13Cl)[13C@]4(Cl)[13C](=[13C](Cl)[13C@@]2(Cl)[13C]4(Cl)Cl)Cl
InChI
InChI=1S/C10H4Cl8O/c11-3-1-2(6-9(3,16)19-6)8(15)5(13)4(12)7(1,14)10(8,17)18/h1-3,6H/t1-,2+,3+,6-,7+,8-,9+/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1
Pentachlorobenzene
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C6 H Cl5
Molecular Weight
250.34
Accurate Mass
247.8521
SMILES
Clc1cc(Cl)c(Cl)c(Cl)c1Cl
InChI
InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H
IUPAC
1,2,3,4,5-pentachlorobenzene
Pentachlorobenzene 13C6
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C6 H Cl5
Molecular Weight
256.29
Accurate Mass
253.872
SMILES
Cl[13c]1[13cH][13c](Cl)[13c](Cl)[13c](Cl)[13c]1Cl
InChI
InChI=1S/C6HCl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1H/i1+1,2+1,3+1,4+1,5+1,6+1
IUPAC
1,2,3,4,5-pentachloro(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-triene
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-Chlordane-13C10
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C10 H6 Cl8
Molecular Weight
419.71
Accurate Mass
415.8313
SMILES
Cl[13C@@H]1[13CH2][13C@H]2[13C@@H]([13C@H]1Cl)[13C@@]3(Cl)[13C](=[13C](Cl)[13C@]2(Cl)[13C]3(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/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1
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+
trans-Nonachlor-13C10
CAS Number
-
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C10 H5 Cl9
Molecular Weight
454.15
Accurate Mass
449.7923
SMILES
Cl[13C@@H]1[13C@@H](Cl)[13C@H]2[13C@@H]([13C@H]1Cl)[13C@]3(Cl)[13C](=[13C](Cl)[13C@@]2(Cl)[13C]3(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+/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1
Storage & Transport Information
Storage Temperature
+20°C
Shipping Temperature
+20°C
Country of Origin
UNITED STATES
Product Attributes
Product Format
Mixture
Matrix
Nonane: Isooctane
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