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Substance Name: 2,2',3,3',4,4',5,6'-Octachlorobiphenyl
RN: 42740-50-1
UNII: 3W40E7L2DO
InChIKey: BQFCCUSDZLKBJG-UHFFFAOYSA-N

Molecular Formula

  • C12-H2-Cl8

Molecular Weight

  • 429.772
 
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Names and Synonyms

Name of Substance

  • 2,2',3,3',4,4',5,6'-Octachlorobiphenyl

Synonyms

  • 2,2',3,3',4,4',5,6'-Octachloro-1,1'-biphenyl
  • 2,2',3,3',4,4',5,6'-Octachlorobiphenyl
  • PCB 196
  • UNII-3W40E7L2DO

Systematic Name

  • 1,1'-Biphenyl, 2,2',3,3',4,4',5,6'-octachloro-

Registry Numbers

CAS Registry Number

  • 42740-50-1

FDA UNII

  • 3W40E7L2DO

System Generated Number

  • 0042740501

Structure Descriptors

InChI

1S/C12H2Cl8/c13-4-2-6(15)9(17)11(19)7(4)3-1-5(14)10(18)12(20)8(3)16/h1-2H

InChIKey

BQFCCUSDZLKBJG-UHFFFAOYSA-N

Smiles

c1(c2c(c(c(Cl)c(c2)Cl)Cl)Cl)c(c(c(Cl)cc1Cl)Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 8.910 (none)   EST
Water Solubility 1.63E-04 mg/L 25 EXP
Vapor Pressure 2.87E-08 mm Hg 25 EST
Henry's Law Constant 1.00E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 7.03E-14 cm3/molecule-sec 25 EST

Physical property data is provided to ChemIDplus by SRC, Inc.