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2,3,3',4,4',5,5'-Heptachlorobiphenyl
[CAS# 39635-31-9]

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Identification
Classification Analytical chemistry >> Food safety >> Dioxins, polychlorinated biphenyls, furans
Name 2,3,3',4,4',5,5'-Heptachlorobiphenyl
Synonyms Pcb 189; 1,1'-Biphenyl, 2,3,3',4,4',5,5'-Heptachloro-; 2,3,3',4,4',5,5'-Heptachlorobiphenyl
Molecular Structure CAS#: 39635-31-9, 2,3,3',4,4',5,5'-Heptachlorobiphenyl
Molecular Formula C12H3Cl7
Molecular Weight 395.33
CAS Registry Number 39635-31-9
SMILES C1=C(C(=C(C=C1C2=CC(=C(C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl
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
InChIKey XUAWBXBYHDRROL-UHFFFAOYSA-N
Properties
Density 1.658g/cm3 (Cal.)
Boiling point 443.912°C at 760 mmHg (Cal.)
Flash point 225.353°C (Cal.)
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