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2,2',3,4,4',5-Hexachlorobiphenyl
[CAS# 35694-06-5]

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Identification
Classification Analytical chemistry >> Food safety >> Dioxins, polychlorinated biphenyls, furans
Name 2,2',3,4,4',5-Hexachlorobiphenyl
Synonyms 1,1'-Biphenyl, 2,2',3,4,4',5-Hexachloro-; 2,2',3,4,4',5-Hexachlorobiphenyl; Pcb 137
Molecular Structure CAS#: 35694-06-5, 2,2',3,4,4',5-Hexachlorobiphenyl
Molecular Formula C12H4Cl6
Molecular Weight 360.88
CAS Registry Number 35694-06-5
SMILES C2=C(C1=CC=C(C=C1Cl)Cl)C(=C(C(=C2Cl)Cl)Cl)Cl
InChI 1S/C12H4Cl6/c13-5-1-2-6(8(14)3-5)7-4-9(15)11(17)12(18)10(7)16/h1-4H
InChIKey CKLLRBPBZLTGDJ-UHFFFAOYSA-N
Properties
Density 1.594g/cm3 (Cal.)
Boiling point 399.075°C at 760 mmHg (Cal.)
Flash point 195.347°C (Cal.)
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