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Substance Name: 2,2',3,4',5'-Pentachlorobiphenyl
RN: 41464-51-1
UNII: 126JR5ZDQQ
InChIKey: JTUSORDQZVOEAZ-UHFFFAOYSA-N

Molecular Formula

  • C12-H5-Cl5

Molecular Weight

  • 326.436
 
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Names and Synonyms

Name of Substance

  • 2,2',3,4',5'-Pentachlorobiphenyl

Synonyms

  • 2,2',3',4,5-Pentachloro-1,1'-biphenyl
  • 2,2',3,4',5'-Pentachlorobiphenyl
  • PCB 97
  • UNII-126JR5ZDQQ

Systematic Names

  • 1,1'-Biphenyl, 2,2',3',4,5-pentachloro-
  • 1,1'-Biphenyl, 2,2',3,4',5'-pentachloro-

Superlist Name

  • 2,2',3',4,5-Pentachlorobiphenyl

Registry Numbers

CAS Registry Number

  • 41464-51-1

FDA UNII

  • 126JR5ZDQQ

System Generated Number

  • 0041464511

Structure Descriptors

InChI

1S/C12H5Cl5/c13-8-3-1-2-6(12(8)17)7-4-10(15)11(16)5-9(7)14/h1-5H

InChIKey

JTUSORDQZVOEAZ-UHFFFAOYSA-N

Smiles

c1(c2c(cc(Cl)c(c2)Cl)Cl)c(c(ccc1)Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.67 (none)   EXP
Water Solubility 0.0284 mg/L 20 EXP
Vapor Pressure 2.22E-06 mm Hg 25 EST
Henry's Law Constant 7.40E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 3.35E-13 cm3/molecule-sec 25 EST

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