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Substance Name: Benzenethiol, 3-chloro-
RN: 2037-31-2
InChIKey: CQJDYPZUDYXHLM-UHFFFAOYSA-N

Molecular Formula

  • C6-H5-Cl-S

Molecular Weight

  • 144.624
 
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Names and Synonyms

Synonyms

  • 3-Chlorobenzenethiol
  • 3-Chlorothiophenol
  • EINECS 218-010-0
  • m-Chlorobenzenethiol
  • m-Chlorothiophenol
  • NSC 32020

Systematic Names

  • Benzenethiol, 3-chloro-
  • Benzenethiol, m-chloro- (8CI)
  • m-Chlorothiophenol

Registry Numbers

CAS Registry Number

  • 2037-31-2

System Generated Number

  • 0002037312

Structure Descriptors

InChI

1S/C6H5ClS/c7-5-2-1-3-6(8)4-5/h1-4,8H

InChIKey

CQJDYPZUDYXHLM-UHFFFAOYSA-N

Smiles

c1c(cccc1Cl)S

Physical Properties

Physical Property Value Units Temp (deg C) Source
Boiling Point 206 deg C   EXP
log P (octanol-water) 3.330 (none)   EST
Water Solubility 115 mg/L 25 EST
Vapor Pressure 0.232 mm Hg 25 EST
Henry's Law Constant 3.87E-04 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 7.96E-12 cm3/molecule-sec 25 EST

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