PCB calibration solution CS4(unlabeled/13C12, 99%)
Product Code
CIL-EC-4939-CS4
CAS Number
28 AnalytesProduct Format
Mixture
Product Categories
PCB and Related Compounds Reference Materials , Stockholm Convention persistent organic pollutants (POPs)
Product Type
Stable Isotope LabelledShare product
- Product Name: PCB calibration solution CS4(unlabeled/13C12, 99%)
- Product Code: CIL-EC-4939-CS4
- Brand: CIL
Documentation
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Product Information
Analyte Data
Analyte Name
Measured Value
CAS Number
Molecular Structure
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2,2',3,3',4,4',5-Heptachlorobiphenyl 13C12
100 ng/mL
2,2',3,4,4',5,5'-Heptachlorobiphenyl 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'-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
2,3,4,4',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
PCB 77 (3,3',4,4'-Tetrachlorobiphenyl)
100 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',3,3',4,4',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][13cH][13c]([13c](Cl)[13c]1Cl)[13c]2[13cH][13c](Cl)[13c](Cl)[13c](Cl)[13c]2Cl
InChI
InChI=1S/C12H3Cl7/c13-6-2-1-4(8(15)10(6)17)5-3-7(14)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-(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
2,2',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](Cl)[13c]([13cH][13c]1Cl)[13c]2[13cH][13c](Cl)[13c](Cl)[13c](Cl)[13c]2Cl
InChI
InChI=1S/C12H3Cl7/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)11(18)12(19)10(5)17/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-(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
2,3',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'-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
2,3,4,4',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
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
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. 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. 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. 170
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)c2cc(Cl)c(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12H3Cl7/c13-6-2-1-4(8(15)10(6)17)5-3-7(14)11(18)12(19)9(5)16/h1-3H
IUPAC
1,2,3,4-tetrachloro-5-(2,3,4-trichlorophenyl)benzene
PCB No. 180
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(cc1Cl)c2cc(Cl)c(Cl)c(Cl)c2Cl
InChI
InChI=1S/C12H3Cl7/c13-6-3-8(15)7(14)1-4(6)5-2-9(16)11(18)12(19)10(5)17/h1-3H
IUPAC
1,2,3,4-tetrachloro-5-(2,4,5-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. 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
No freezing
Country of Origin
UNITED STATES
Product Type
Stable Isotope Labelled
Product Format
Mixture
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