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Substance Name: PCB 121
RN: 56558-18-0
UNII: 2R99YR2114
InChIKey: XBVSGJGMWSKAKL-UHFFFAOYSA-N

Molecular Formula

  • C12-H5-Cl5

Molecular Weight

  • 326.436
 
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Names and Synonyms

Results Name

  • PCB 121

Name of Substance

  • 2,3',4,5',6-Pentachlorobiphenyl

Synonyms

  • 1,1'-Biphenyl, 2,3',4,5',6-pentachloro-
  • 2,3',4,5',6-Pentachlorobiphenyl
  • 2,4,6,3',5'-Pentachlorobiphenyl
  • PCB-121
  • UNII-2R99YR2114

Systematic Names

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

Registry Numbers

CAS Registry Number

  • 56558-18-0

FDA UNII

  • 2R99YR2114

System Generated Number

  • 0056558180

Structure Descriptors

InChI

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

InChIKey

XBVSGJGMWSKAKL-UHFFFAOYSA-N

Smiles

c1c(cc(c2c(cc(cc2Cl)Cl)Cl)cc1Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 6.980 (none)   EST
Water Solubility 0.00393 mg/L 25 EXP
Atmospheric OH Rate Constant 8.07E-13 cm3/molecule-sec 25 EST

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