Method 1668A/B PCB Calibration Solutions [CS4]
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- structure.search.product.name Method 1668A/B PCB Calibration Solutions [CS4]
- Product Code: CIL-EC-4976-4
- Brand: CIL
Product Overview
Product Code
CIL-EC-4976-4
CAS Number
62 AnalytesProduct Format
Mixture
Regulatory Method
US EPA Method 1668
Product Categories
Stockholm Convention persistent organic pollutants (POPs), PCB and Related Compounds Reference Materials , EPA Methods
Product Type
Stable Isotope LabelledProduct Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl 13C12
100 ng/mL
2,2',3,3',4,4',5,5'-Octachlorobiphenyl 13C12
100 ng/mL
2,2',3,3',4,5,5',6,6'-Nonachlorobiphenyl 13C12
100 ng/mL
2,2',3,3',5,5',6,6'-Octachlorobiphenyl 13C12
100 ng/mL
2,2',3,3',5,5',6-Heptachlorobiphenyl 13C12
100 ng/mL
2,2',3,4',5,6,6'-Heptachlorobiphenyl 13C12
100 ng/mL
2,2',3,4,4',5'-Hexachlorobiphenyl 13C12
100 ng/mL
2,2',4,4',6,6'-Hexachlorobiphenyl 13C12
100 ng/mL
2,2',4,5,5'-Pentachlorobiphenyl 13C12
100 ng/mL
2,2',4,6,6'-Pentachlorobiphenyl 13C12
100 ng/mL
2,2',5,5'-Tetrachlorobiphenyl 13C12
100 ng/mL
2,2',6,6'-Tetrachlorobiphenyl 13C12
100 ng/mL
2,2',6-Trichlorobiphenyl 13C12
100 ng/mL
2,3',4,4',5'-Pentachlorobiphenyl 13C12
100 ng/mL
2,3',4,4',5,5'-Hexachlorobiphenyl 13C12
100 ng/mL
2,3',4,4',5-Pentachlorobiphenyl 13C12
100 ng/mL
2,3,3',4,4',5'-Hexachlorobiphenyl 13C12
100 ng/mL
2,3,3',4,4',5,5',6-Octachlorobiphenyl 13C12
100 ng/mL
2,3,3',4,4',5,5'-Heptachlorobiphenyl 13C12
100 ng/mL
2,3,3',4,4',5-Hexachlorobiphenyl 13C12
100 ng/mL
2,3,3',4,4'-Pentachlorobiphenyl 13C12
100 ng/mL
2,3,3',5,5'-Pentachlorobiphenyl 13C12
100 ng/mL
2,3,4,4',5-Pentachlorobiphenyl 13C12
100 ng/mL
3,3',4,4',5,5'-Hexachlorobiphenyl 13C12
100 ng/mL
3,3',4,4',5-Pentachlorobiphenyl 13C12
100 ng/mL
3,3',4,4'-Tetrachlorobiphenyl 13C12
100 ng/mL
3,4,4',5-Tetrachlorobiphenyl 13C12
100 ng/mL
3,4,4'-Trichlorobiphenyl 13C12
100 ng/mL
PCB 54 (2,2',6,6'-Tetrachlorobiphenyl)
400 ng/mL
PCB 77 (3,3',4,4'-Tetrachlorobiphenyl)
400 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
{{ analyteItem.inchi[0].name }}
IUPAC
{{ analyteItem.iupac }}
2,2',3,3',4,4',5,5',6-Nonachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H Cl9
Molecular Weight
476.13
Accurate Mass
471.7678
SMILES
Cl[13c]1[13cH][13c]([13c](Cl)[13c](Cl)[13c]1Cl)[13c]2[13c](Cl)[13c](Cl)[13c](Cl)[13c](Cl)[13c]2Cl
InChI
InChI=1S/C12HCl9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H/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
1,2,3,4,5-pentachloro-6-(3,4,5,6-tetrachloro(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
2,2',3,3',4,4',5,5'-Octachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H2 Cl8
Molecular Weight
441.68
Accurate Mass
437.8067
SMILES
Cl[13c]1[13cH][13c]([13c](Cl)[13c](Cl)[13c]1Cl)[13c]2[13cH][13c](Cl)[13c](Cl)[13c](Cl)[13c]2Cl
InChI
InChI=1S/C12H2Cl8/c13-5-1-3(7(15)11(19)9(5)17)4-2-6(14)10(18)12(20)8(4)16/h1-2H/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
1,2,3,4-tetrachloro-5-(3,4,5,6-tetrachloro(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
2,2',3,3',4,5,5',6,6'-Nonachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H Cl9
Molecular Weight
476.13
Accurate Mass
471.7678
SMILES
Cl[13c]1[13cH][13c](Cl)[13c](Cl)[13c]([13c]1Cl)[13c]2[13c](Cl)[13c](Cl)[13c](Cl)[13c](Cl)[13c]2Cl
InChI
InChI=1S/C12HCl9/c13-2-1-3(14)7(16)4(6(2)15)5-8(17)10(19)12(21)11(20)9(5)18/h1H/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
1,2,3,4,5-pentachloro-6-(2,3,5,6-tetrachloro(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
2,2',3,3',5,5',6,6'-Octachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H2 Cl8
Molecular Weight
441.68
Accurate Mass
437.8067
SMILES
Cl[13c]1[13cH][13c](Cl)[13c](Cl)[13c]([13c]1Cl)[13c]2[13c](Cl)[13c](Cl)[13cH][13c](Cl)[13c]2Cl
InChI
InChI=1S/C12H2Cl8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H/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
1,2,4,5-tetrachloro-3-(2,3,5,6-tetrachloro(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
2,2',3,3',5,5',6-Heptachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H3 Cl7
Molecular Weight
407.24
Accurate Mass
403.8457
SMILES
Cl[13c]1[13cH][13c](Cl)[13c](Cl)[13c]([13cH]1)[13c]2[13c](Cl)[13c](Cl)[13cH][13c](Cl)[13c]2Cl
InChI
InChI=1S/C12H3Cl7/c13-4-1-5(10(17)6(14)2-4)9-11(18)7(15)3-8(16)12(9)19/h1-3H/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
1,2,4,5-tetrachloro-3-(3,5,6-trichloro(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
2,2',3,4',5,6,6'-Heptachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H3 Cl7
Molecular Weight
407.24
Accurate Mass
403.8457
SMILES
Cl[13c]1[13cH][13c](Cl)[13c]([13c](Cl)[13cH]1)[13c]2[13c](Cl)[13c](Cl)[13cH][13c](Cl)[13c]2Cl
InChI
InChI=1S/C12H3Cl7/c13-4-1-5(14)9(6(15)2-4)10-11(18)7(16)3-8(17)12(10)19/h1-3H/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
1,2,4,5-tetrachloro-3-(2,4,6-trichloro(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
2,2',3,4,4',5'-Hexachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H4 Cl6
Molecular Weight
372.79
Accurate Mass
369.8847
SMILES
Cl[13c]1[13cH][13c](Cl)[13c]([13cH][13c]1Cl)[13c]2[13cH][13cH][13c](Cl)[13c](Cl)[13c]2Cl
InChI
InChI=1S/C12H4Cl6/c13-7-2-1-5(11(17)12(7)18)6-3-9(15)10(16)4-8(6)14/h1-4H/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
1,2,3-trichloro-6-(2,4,5-trichloro(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
2,2',4,4',6,6'-Hexachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H4 Cl6
Molecular Weight
372.79
Accurate Mass
369.8847
SMILES
Cl[13c]1[13cH][13c](Cl)[13c]([13c](Cl)[13cH]1)[13c]2[13c](Cl)[13cH][13c](Cl)[13cH][13c]2Cl
InChI
InChI=1S/C12H4Cl6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H/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
1,3,5-trichloro-2-(2,4,6-trichloro(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
2,2',4,5,5'-Pentachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
Unlabelled CAS Number
Molecular Formula
13C12 H5 Cl5
Molecular Weight
338.34
Accurate Mass
335.9236
SMILES
Cl[13c]1[13cH][13cH][13c](Cl)[13c]([13cH]1)[13c]2[13cH][13c](Cl)[13c](Cl)[13cH][13c]2Cl
InChI
InChI=1S/C12H5Cl5/c13-6-1-2-9(14)7(3-6)8-4-11(16)12(17)5-10(8)15/h1-5H/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
1,2,4-trichloro-5-(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
2,2',4,6,6'-Pentachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H5 Cl5
Molecular Weight
338.34
Accurate Mass
335.9236
SMILES
Cl[13c]1[13cH][13c](Cl)[13c]([13c](Cl)[13cH]1)[13c]2[13c](Cl)[13cH][13cH][13cH][13c]2Cl
InChI
InChI=1S/C12H5Cl5/c13-6-4-9(16)12(10(17)5-6)11-7(14)2-1-3-8(11)15/h1-5H/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
1,3,5-trichloro-2-(2,6-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
2,2',5,5'-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][13c](Cl)[13cH][13cH][13c]2Cl
InChI
InChI=1S/C12H6Cl4/c13-7-1-3-11(15)9(5-7)10-6-8(14)2-4-12(10)16/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
1,4-dichloro-2-(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
2,2',6,6'-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][13cH][13c](Cl)[13c]1[13c]2[13c](Cl)[13cH][13cH][13cH][13c]2Cl
InChI
InChI=1S/C12H6Cl4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/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
1,3-dichloro-2-(2,6-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
2,2',6-Trichlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H7 Cl3
Molecular Weight
269.45
Accurate Mass
268.0016
SMILES
Cl[13c]1[13cH][13cH][13cH][13cH][13c]1[13c]2[13c](Cl)[13cH][13cH][13cH][13c]2Cl
InChI
InChI=1S/C12H7Cl3/c13-9-5-2-1-4-8(9)12-10(14)6-3-7-11(12)15/h1-7H/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
1,3-dichloro-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
2,2'-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',4,4',5'-Pentachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H5 Cl5
Molecular Weight
338.34
Accurate Mass
335.9236
SMILES
Cl[13c]1[13cH][13cH][13c]([13c](Cl)[13cH]1)[13c]2[13cH][13c](Cl)[13c](Cl)[13c](Cl)[13cH]2
InChI
InChI=1S/C12H5Cl5/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H/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
1,2,3-trichloro-5-(4,6-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
2,3',4,4',5,5'-Hexachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H4 Cl6
Molecular Weight
372.79
Accurate Mass
369.8847
SMILES
Cl[13c]1[13cH][13c](Cl)[13c]([13cH][13c]1Cl)[13c]2[13cH][13c](Cl)[13c](Cl)[13c](Cl)[13cH]2
InChI
InChI=1S/C12H4Cl6/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4H/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
1,2,3-trichloro-5-(3,4,6-trichloro(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',4,4',5-Pentachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H5 Cl5
Molecular Weight
338.34
Accurate Mass
335.9236
SMILES
Cl[13c]1[13cH][13cH][13c]([13cH][13c]1Cl)[13c]2[13cH][13c](Cl)[13c](Cl)[13cH][13c]2Cl
InChI
InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H/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
1,2,4-trichloro-5-(3,4-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
2,3,3',4,4',5'-Hexachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H4 Cl6
Molecular Weight
372.79
Accurate Mass
369.8847
SMILES
Cl[13c]1[13cH][13cH][13c]([13c](Cl)[13c]1Cl)[13c]2[13cH][13c](Cl)[13c](Cl)[13c](Cl)[13cH]2
InChI
InChI=1S/C12H4Cl6/c13-7-2-1-6(10(16)12(7)18)5-3-8(14)11(17)9(15)4-5/h1-4H/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
1,2,3-trichloro-5-(4,5,6-trichloro(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
2,3,3',4,4',5,5',6-Octachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H2 Cl8
Molecular Weight
441.68
Accurate Mass
437.8067
SMILES
Cl[13c]1[13cH][13c]([13cH][13c](Cl)[13c]1Cl)[13c]2[13c](Cl)[13c](Cl)[13c](Cl)[13c](Cl)[13c]2Cl
InChI
InChI=1S/C12H2Cl8/c13-4-1-3(2-5(14)7(4)15)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H/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
1,2,3,4,5-pentachloro-6-(3,4,5-trichloro(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
2,3,3',4,4',5,5'-Heptachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H3 Cl7
Molecular Weight
407.24
Accurate Mass
403.8457
SMILES
Cl[13c]1[13cH][13c]([13cH][13c](Cl)[13c]1Cl)[13c]2[13cH][13c](Cl)[13c](Cl)[13c](Cl)[13c]2Cl
InChI
InChI=1S/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H/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
1,2,3,4-tetrachloro-5-(3,4,5-trichloro(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
2,3,3',4,4',5-Hexachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H4 Cl6
Molecular Weight
372.79
Accurate Mass
369.8847
SMILES
Cl[13c]1[13cH][13cH][13c]([13cH][13c]1Cl)[13c]2[13cH][13c](Cl)[13c](Cl)[13c](Cl)[13c]2Cl
InChI
InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H/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
1,2,3,4-tetrachloro-5-(4,5-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
2,3,3',4,4'-Pentachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H5 Cl5
Molecular Weight
338.34
Accurate Mass
335.9236
SMILES
Cl[13c]1[13cH][13cH][13c]([13cH][13c]1Cl)[13c]2[13cH][13cH][13c](Cl)[13c](Cl)[13c]2Cl
InChI
InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H/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
1,2,3-trichloro-6-(4,5-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
2,3,3',5,5'-Pentachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H5 Cl5
Molecular Weight
338.34
Accurate Mass
335.9236
SMILES
Cl[13c]1[13cH][13c](Cl)[13cH][13c]([13cH]1)[13c]2[13cH][13c](Cl)[13cH][13c](Cl)[13c]2Cl
InChI
InChI=1S/C12H5Cl5/c13-7-1-6(2-8(14)3-7)10-4-9(15)5-11(16)12(10)17/h1-5H/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
2,3,5-trichloro-1-(3,5-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
2,3,4,4',5-Pentachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H5 Cl5
Molecular Weight
338.34
Accurate Mass
335.9236
SMILES
Cl[13c]1[13cH][13cH][13c]([13cH][13cH]1)[13c]2[13cH][13c](Cl)[13c](Cl)[13c](Cl)[13c]2Cl
InChI
InChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H/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
1,2,3,4-tetrachloro-5-(4-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
2,4,4'-Trichlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H7 Cl3
Molecular Weight
269.45
Accurate Mass
268.0016
SMILES
Cl[13c]1[13cH][13cH][13c]([13cH][13cH]1)[13c]2[13cH][13cH][13c](Cl)[13cH][13c]2Cl
InChI
InChI=1S/C12H7Cl3/c13-9-3-1-8(2-4-9)11-6-5-10(14)7-12(11)15/h1-7H/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
1,3-dichloro-6-(4-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
2,5-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][13c](Cl)[13c]([13cH]1)[13c]2[13cH][13cH][13cH][13cH][13cH]2
InChI
InChI=1S/C12H8Cl2/c13-10-6-7-12(14)11(8-10)9-4-2-1-3-5-9/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
3,6-dichloro-1-((1,2,3,4,5,6-^{13}C_{6})cyclohexatrienyl)(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
2-Chlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H9 Cl
Molecular Weight
200.56
Accurate Mass
200.0795
SMILES
Cl[13c]1[13cH][13cH][13cH][13cH][13c]1[13c]2[13cH][13cH][13cH][13cH][13cH]2
InChI
InChI=1S/C12H9Cl/c13-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H/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-((1,2,3,4,5,6-^{13}C_{6})cyclohexatrienyl)(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
3,3',4,4',5,5'-Hexachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H4 Cl6
Molecular Weight
372.79
Accurate Mass
369.8847
SMILES
Cl[13c]1[13cH][13c]([13cH][13c](Cl)[13c]1Cl)[13c]2[13cH][13c](Cl)[13c](Cl)[13c](Cl)[13cH]2
InChI
InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H/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
1,2,3-trichloro-5-(3,4,5-trichloro(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
3,3',4,4',5-Pentachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H5 Cl5
Molecular Weight
338.34
Accurate Mass
335.9236
SMILES
Cl[13c]1[13cH][13cH][13c]([13cH][13c]1Cl)[13c]2[13cH][13c](Cl)[13c](Cl)[13c](Cl)[13cH]2
InChI
InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H/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
1,2,3-trichloro-5-(3,4-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
3,3',4,4'-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]([13cH][13c]1Cl)[13c]2[13cH][13cH][13c](Cl)[13c](Cl)[13cH]2
InChI
InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/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-(3,4-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
3,4,4',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]([13cH][13cH]1)[13c]2[13cH][13c](Cl)[13c](Cl)[13c](Cl)[13cH]2
InChI
InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/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
1,2,3-trichloro-5-(4-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
3,4,4'-Trichlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 H7 Cl3
Molecular Weight
269.45
Accurate Mass
268.0016
SMILES
Cl[13c]1[13cH][13cH][13c]([13cH][13cH]1)[13c]2[13cH][13cH][13c](Cl)[13c](Cl)[13cH]2
InChI
InChI=1S/C12H7Cl3/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7H/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
1,6-dichloro-3-(4-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
4,4'-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][13c]([13cH][13cH]1)[13c]2[13cH][13cH][13c](Cl)[13cH][13cH]2
InChI
InChI=1S/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)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-(4-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
4-Chlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
13C12 H9 Cl
Molecular Weight
200.56
Accurate Mass
200.0795
SMILES
Cl[13c]1[13cH][13cH][13c]([13cH][13cH]1)[13c]2[13cH][13cH][13cH][13cH][13cH]2
InChI
InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H/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-((1,2,3,4,5,6-^{13}C_{6})cyclohexatrienyl)(1,2,3,4,5,6-^{13}C_{6})cyclohexa-1,3,5-triene
Decachlorobiphenyl 13C12
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
Molecular Formula
13C12 Cl10
Molecular Weight
510.57
Accurate Mass
505.7288
SMILES
Cl[13c]1[13c](Cl)[13c](Cl)[13c]([13c](Cl)[13c]1Cl)[13c]2[13c](Cl)[13c](Cl)[13c](Cl)[13c](Cl)[13c]2Cl
InChI
InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16/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
1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachloro(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
PCB 3 (4-Chlorobiphenyl)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H9 Cl
Molecular Weight
188.65
Accurate Mass
188.0393
SMILES
Clc1ccc(cc1)c2ccccc2
InChI
InChI=1S/C12H9Cl/c13-12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9H
IUPAC
1-chloro-4-phenylbenzene
PCB 4 (2,2'-Dichlorobiphenyl)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H8 Cl2
Molecular Weight
223.10
Accurate Mass
222.0003
SMILES
Clc1ccccc1c2ccccc2Cl
InChI
InChI=1S/C12H8Cl2/c13-11-7-3-1-5-9(11)10-6-2-4-8-12(10)14/h1-8H
IUPAC
1-chloro-2-(2-chlorophenyl)benzene
PCB 54 (2,2',6,6'-Tetrachlorobiphenyl)
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H6 Cl4
Molecular Weight
291.99
Accurate Mass
289.9224
SMILES
Clc1cccc(Cl)c1c2c(Cl)cccc2Cl
InChI
InChI=1S/C12H6Cl4/c13-7-3-1-4-8(14)11(7)12-9(15)5-2-6-10(12)16/h1-6H
IUPAC
1,3-dichloro-2-(2,6-dichlorophenyl)benzene
PCB 77 (3,3',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(cc1Cl)c2ccc(Cl)c(Cl)c2
InChI
InChI=1S/C12H6Cl4/c13-9-3-1-7(5-11(9)15)8-2-4-10(14)12(16)6-8/h1-6H
IUPAC
1,2-dichloro-4-(3,4-dichlorophenyl)benzene
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. 104
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)c2c(Cl)cccc2Cl
InChI
InChI=1S/C12H5Cl5/c13-6-4-9(16)12(10(17)5-6)11-7(14)2-1-3-8(11)15/h1-5H
IUPAC
1,3,5-trichloro-2-(2,6-dichlorophenyl)benzene
PCB No. 105
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H5 Cl5
Molecular Weight
326.43
Accurate Mass
323.8834
SMILES
Clc1ccc(cc1Cl)c2ccc(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12H5Cl5/c13-8-3-1-6(5-10(8)15)7-2-4-9(14)12(17)11(7)16/h1-5H
IUPAC
1,2,3-trichloro-4-(3,4-dichlorophenyl)benzene
PCB No. 114
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H5 Cl5
Molecular Weight
326.43
Accurate Mass
323.8834
SMILES
Clc1ccc(cc1)c2cc(Cl)c(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12H5Cl5/c13-7-3-1-6(2-4-7)8-5-9(14)11(16)12(17)10(8)15/h1-5H
IUPAC
1,2,3,4-tetrachloro-5-(4-chlorophenyl)benzene
PCB No. 118
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H5 Cl5
Molecular Weight
326.43
Accurate Mass
323.8834
SMILES
Clc1ccc(cc1Cl)c2cc(Cl)c(Cl)cc2Cl
InChI
InChI=1S/C12H5Cl5/c13-8-2-1-6(3-10(8)15)7-4-11(16)12(17)5-9(7)14/h1-5H
IUPAC
1,2,4-trichloro-5-(3,4-dichlorophenyl)benzene
PCB No. 123
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H5 Cl5
Molecular Weight
326.43
Accurate Mass
323.8834
SMILES
Clc1ccc(c(Cl)c1)c2cc(Cl)c(Cl)c(Cl)c2
InChI
InChI=1S/C12H5Cl5/c13-7-1-2-8(9(14)5-7)6-3-10(15)12(17)11(16)4-6/h1-5H
IUPAC
1,2,3-trichloro-5-(2,4-dichlorophenyl)benzene
PCB No. 126
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H5 Cl5
Molecular Weight
326.43
Accurate Mass
323.8834
SMILES
Clc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2
InChI
InChI=1S/C12H5Cl5/c13-8-2-1-6(3-9(8)14)7-4-10(15)12(17)11(16)5-7/h1-5H
IUPAC
1,2,3-trichloro-5-(3,4-dichlorophenyl)benzene
PCB No. 15
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H8 Cl2
Molecular Weight
223.10
Accurate Mass
222.0003
SMILES
Clc1ccc(cc1)c2ccc(Cl)cc2
InChI
InChI=1S/C12H8Cl2/c13-11-5-1-9(2-6-11)10-3-7-12(14)8-4-10/h1-8H
IUPAC
1-chloro-4-(4-chlorophenyl)benzene
PCB No. 155
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)c2c(Cl)cc(Cl)cc2Cl
InChI
InChI=1S/C12H4Cl6/c13-5-1-7(15)11(8(16)2-5)12-9(17)3-6(14)4-10(12)18/h1-4H
IUPAC
1,3,5-trichloro-2-(2,4,6-trichlorophenyl)benzene
PCB No. 156
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Cl6
Molecular Weight
360.88
Accurate Mass
357.8444
SMILES
Clc1ccc(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12H4Cl6/c13-7-2-1-5(3-8(7)14)6-4-9(15)11(17)12(18)10(6)16/h1-4H
IUPAC
1,2,3,4-tetrachloro-5-(3,4-dichlorophenyl)benzene
PCB No. 157
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Cl6
Molecular Weight
360.88
Accurate Mass
357.8444
SMILES
Clc1ccc(c(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2
InChI
InChI=1S/C12H4Cl6/c13-7-2-1-6(10(16)12(7)18)5-3-8(14)11(17)9(15)4-5/h1-4H
IUPAC
1,2,3-trichloro-4-(3,4,5-trichlorophenyl)benzene
PCB No. 167
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(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2
InChI
InChI=1S/C12H4Cl6/c13-7-4-9(15)8(14)3-6(7)5-1-10(16)12(18)11(17)2-5/h1-4H
IUPAC
1,2,3-trichloro-5-(2,4,5-trichlorophenyl)benzene
PCB No. 169
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H4 Cl6
Molecular Weight
360.88
Accurate Mass
357.8444
SMILES
Clc1cc(cc(Cl)c1Cl)c2cc(Cl)c(Cl)c(Cl)c2
InChI
InChI=1S/C12H4Cl6/c13-7-1-5(2-8(14)11(7)17)6-3-9(15)12(18)10(16)4-6/h1-4H
IUPAC
1,2,3-trichloro-5-(3,4,5-trichlorophenyl)benzene
PCB No. 188
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H3 Cl7
Molecular Weight
395.32
Accurate Mass
391.8054
SMILES
Clc1cc(Cl)c(c(Cl)c1)c2c(Cl)c(Cl)cc(Cl)c2Cl
InChI
InChI=1S/C12H3Cl7/c13-4-1-5(14)9(6(15)2-4)10-11(18)7(16)3-8(17)12(10)19/h1-3H
IUPAC
1,2,4,5-tetrachloro-3-(2,4,6-trichlorophenyl)benzene
PCB No. 189
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H3 Cl7
Molecular Weight
395.32
Accurate Mass
391.8054
SMILES
ClC(C(Cl)=C(Cl)C(Cl)=C1)=C1C2=CC(Cl)=C(Cl)C(Cl)=C2
InChI
InChI=1S/C12H3Cl7/c13-6-1-4(2-7(14)10(6)17)5-3-8(15)11(18)12(19)9(5)16/h1-3H
IUPAC
1,2,3,4-tetrachloro-5-(3,4,5-trichlorophenyl)benzene
PCB No. 19
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H7 Cl3
Molecular Weight
257.54
Accurate Mass
255.9613
SMILES
Clc1ccccc1c2c(Cl)cccc2Cl
InChI
InChI=1S/C12H7Cl3/c13-9-5-2-1-4-8(9)12-10(14)6-3-7-11(12)15/h1-7H
IUPAC
1,3-dichloro-2-(2-chlorophenyl)benzene
PCB No. 202
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(Cl)c(c1Cl)c2c(Cl)c(Cl)cc(Cl)c2Cl
InChI
InChI=1S/C12H2Cl8/c13-3-1-4(14)10(18)7(9(3)17)8-11(19)5(15)2-6(16)12(8)20/h1-2H
IUPAC
1,2,4,5-tetrachloro-3-(2,3,5,6-tetrachlorophenyl)benzene
PCB No. 205
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H2 Cl8
Molecular Weight
429.77
Accurate Mass
425.7665
SMILES
Clc1cc(cc(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12H2Cl8/c13-4-1-3(2-5(14)7(4)15)6-8(16)10(18)12(20)11(19)9(6)17/h1-2H
IUPAC
1,2,3,4,5-pentachloro-6-(3,4,5-trichlorophenyl)benzene
PCB No. 206
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H Cl9
Molecular Weight
464.21
Accurate Mass
459.7275
SMILES
Clc1cc(c(Cl)c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12HCl9/c13-3-1-2(5(14)9(18)6(3)15)4-7(16)10(19)12(21)11(20)8(4)17/h1H
IUPAC
1,2,3,4,5-pentachloro-6-(2,3,4,5-tetrachlorophenyl)benzene
PCB No. 208
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H Cl9
Molecular Weight
464.21
Accurate Mass
459.7275
SMILES
Clc1cc(Cl)c(Cl)c(c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12HCl9/c13-2-1-3(14)7(16)4(6(2)15)5-8(17)10(19)12(21)11(20)9(5)18/h1H
IUPAC
1,2,3,4,5-pentachloro-6-(2,3,5,6-tetrachlorophenyl)benzene
PCB No. 209
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 Cl10
Molecular Weight
498.66
Accurate Mass
493.6885
SMILES
Clc1c(Cl)c(Cl)c(c(Cl)c1Cl)c2c(Cl)c(Cl)c(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12Cl10/c13-3-1(4(14)8(18)11(21)7(3)17)2-5(15)9(19)12(22)10(20)6(2)16
IUPAC
1,2,3,4,5-pentachloro-6-(2,3,4,5,6-pentachlorophenyl)benzene
PCB No. 37
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H7 Cl3
Molecular Weight
257.54
Accurate Mass
255.9613
SMILES
Clc1ccc(cc1)c2ccc(Cl)c(Cl)c2
InChI
InChI=1S/C12H7Cl3/c13-10-4-1-8(2-5-10)9-3-6-11(14)12(15)7-9/h1-7H
IUPAC
1,2-dichloro-4-(4-chlorophenyl)benzene
PCB No. 81
CAS Number
Alternate CAS Number
-
Unlabelled CAS Number
-
Molecular Formula
C12 H6 Cl4
Molecular Weight
291.99
Accurate Mass
289.9224
SMILES
Clc1ccc(cc1)c2cc(Cl)c(Cl)c(Cl)c2
InChI
InChI=1S/C12H6Cl4/c13-9-3-1-7(2-4-9)8-5-10(14)12(16)11(15)6-8/h1-6H
IUPAC
1,2,3-trichloro-5-(4-chlorophenyl)benzene
Product Data
Storage Temperature
Room Temperature
Shipping Temperature
Room Temperature
Country of Origin
UNITED STATES
Product Type
Stable Isotope Labelled
Product Format
Mixture
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