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Substance Name: beta-Pentachlorocyclohexene
RN: 54083-25-9
InChIKey: MQYAVRUCONBHOR-UHFFFAOYSA-N

Classification Code

  • Mutation Data

Molecular Formula

  • C6-H5-Cl5

Molecular Weight

  • 254.37
 
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Names and Synonyms

Results Name

  • beta-Pentachlorocyclohexene

Synonyms

  • beta-Pch
  • beta-Pentachlorocyclohexene

Systematic Name

  • Cyclohexene, 1,3,4,5,6-pentachloro-, (3-alpha,4-alpha,5-beta,6-alpha)-

Registry Numbers

CAS Registry Number

  • 54083-25-9

System Generated Number

  • 0054083259

Structure Descriptors

InChI

1S/C6H5Cl5/c7-2-1-3(8)5(10)6(11)4(2)9/h1-2,4-6H

InChIKey

MQYAVRUCONBHOR-UHFFFAOYSA-N

Smiles

ClC1=C[C@@H](Cl)[C@@H](Cl)[C@@H](Cl)[C@@H]1Cl

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.85 (none)   EXP
Water Solubility 11.5 mg/L 25 EST
Vapor Pressure 5.99E-03 mm Hg 25 EST
Henry's Law Constant 1.30E-03 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.13E-11 cm3/molecule-sec 25 EST

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