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2,2',3,3',4,4',5,6,6'-Nonachlorobiphenyl
[CAS# 52663-79-3]

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Identification
Classification Analytical chemistry >> Food safety >> Dioxins, polychlorinated biphenyls, furans
Name 2,2',3,3',4,4',5,6,6'-Nonachlorobiphenyl
Synonyms 1,1'-Biphenyl, 2,2',3,3',4,4',5,6,6'-Nonachloro-; 2,2',3,3',4,4',5,6,6'-Nonachloro-1,1'-Biphenyl
Molecular Structure CAS#: 52663-79-3, 2,2',3,3',4,4',5,6,6'-Nonachlorobiphenyl
Molecular Formula C12HCl9
Molecular Weight 464.22
CAS Registry Number 52663-79-3
SMILES C1=C(C(=C(C(=C1Cl)C2=C(C(=C(Cl)C(=C2Cl)Cl)Cl)Cl)Cl)Cl)Cl
InChI 1S/C12HCl9/c13-2-1-3(14)6(15)7(16)4(2)5-8(17)10(19)12(21)11(20)9(5)18/h1H
InChIKey YGDPIDTZOQGPAX-UHFFFAOYSA-N
Properties
Density 1.77g/cm3 (Cal.)
Boiling point 442.478°C at 760 mmHg (Cal.)
Flash point 218.196°C (Cal.)
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