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Substance Name: PCB 171
RN: 52663-71-5
UNII: MQY8EP6V5R
InChIKey: TZMHVHLTPWKZCI-UHFFFAOYSA-N

Molecular Formula

  • C12-H3-Cl7

Molecular Weight

  • 395.327
 
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Names and Synonyms

Results Name

  • PCB 171

Name of Substance

  • 2,2',3,3',4,4',6-Heptachlorobiphenyl

Synonyms

  • 1,2,3,5-Tetrachloro-4-(2,3,4-trichlorophenyl)benzene
  • 2,2',3,3',4,4',6-Heptachlorobiphenyl
  • PCB 171
  • UNII-MQY8EP6V5R

Systematic Name

  • 1,1'-Biphenyl, 2,2',3,3',4,4',6-heptachloro-

Registry Numbers

CAS Registry Number

  • 52663-71-5

FDA UNII

  • MQY8EP6V5R

System Generated Number

  • 0052663715

Structure Descriptors

InChI

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

InChIKey

TZMHVHLTPWKZCI-UHFFFAOYSA-N

Smiles

c1(c2c(c(c(Cl)cc2)Cl)Cl)c(c(c(Cl)cc1Cl)Cl)Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 8.270 (none)   EST
Water Solubility 0.00217 mg/L 25 EXP
Vapor Pressure 1.40E-06 mm Hg 25 EXP
Henry's Law Constant 3.36E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.18E-13 cm3/molecule-sec 25 EST

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