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Substance Name: 2,2',3,3',5,6,6'-Heptachlorobiphenyl
RN: 52663-64-6
UNII: 166JMZ6X6Q
InChIKey: XYHVYEUZLSYHDP-UHFFFAOYSA-N

Molecular Formula

  • C12-H3-Cl7

Molecular Weight

  • 395.327
 
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Names and Synonyms

Name of Substance

  • 2,2',3,3',5,6,6'-Heptachlorobiphenyl

Synonyms

  • 2,2',3,3',5,6,6'-Heptachloro-1,1'-biphenyl
  • 2,2',3,3',5,6,6'-Heptachlorobiphenyl
  • 2,3,5,6,2',3',6'-Heptachlorobiphenyl
  • 2,3,6,2',3',5',6'-Heptachlorobiphenyl
  • PCB 179
  • UNII-166JMZ6X6Q

Systematic Name

  • 1,1'-Biphenyl, 2,2',3,3',5,6,6'-heptachloro-

Registry Numbers

CAS Registry Number

  • 52663-64-6

FDA UNII

  • 166JMZ6X6Q

System Generated Number

  • 0052663646

Structure Descriptors

InChI

1S/C12H3Cl7/c13-4-1-2-5(14)10(17)8(4)9-11(18)6(15)3-7(16)12(9)19/h1-3H

InChIKey

XYHVYEUZLSYHDP-UHFFFAOYSA-N

Smiles

c1(c2c(c(ccc2Cl)Cl)Cl)c(c(cc(c1Cl)Cl)Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 8.270 (none)   EST
Water Solubility 0.00454 mg/L 25 EXP
Vapor Pressure 1.30E-07 mm Hg 25 EST
Henry's Law Constant 2.40E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 1.05E-13 cm3/molecule-sec 25 EST

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