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Substance Name: PCB 99
RN: 38380-01-7
UNII: 3PY435PFIO
InChIKey: LMQJBFRGXHMNOX-UHFFFAOYSA-N

Molecular Formula

  • C12-H5-Cl5

Molecular Weight

  • 326.436
 
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Names and Synonyms

Results Name

  • PCB 99

Name of Substance

  • 2,2',4,4',5-Pentachlorobiphenyl

Synonyms

  • 2,2',4,4',5-Pentachloro-1,1'-biphenyl
  • 2,2',4,4',5-Pentachlorobiphenyl
  • PCB 99
  • UNII-3PY435PFIO

Systematic Name

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

Superlist Name

  • 2,2',4,4',5-Pentachlorobiphenyl

Registry Numbers

CAS Registry Number

  • 38380-01-7

FDA UNII

  • 3PY435PFIO

System Generated Number

  • 0038380017

Structure Descriptors

InChI

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

InChIKey

LMQJBFRGXHMNOX-UHFFFAOYSA-N

Smiles

c1(c2c(cc(Cl)cc2)Cl)c(cc(Cl)c(c1)Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 7.21 (none)   EXP
Water Solubility 0.00366 mg/L 25 EXP
Vapor Pressure 2.20E-05 mm Hg 25 EXP
Henry's Law Constant 7.80E-05 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 4.00E-13 cm3/molecule-sec 25 EST

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