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Substance Name: p-Chlorothiophenol
RN: 106-54-7
UNII: 1O71UA6O72
InChIKey: VZXOZSQDJJNBRC-UHFFFAOYSA-N

Classification Codes

  • Skin / Eye Irritant
  • Tumor Data

Molecular Formula

  • C6-H5-Cl-S

Molecular Weight

  • 144.624
 
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Names and Synonyms

Name of Substance

  • p-Chlorothiophenol

Synonyms

  • 1-Chloro-4-mercaptobenzene
  • 4-06-00-01581 (Beilstein Handbook Reference)
  • 4-Chlorobenzenethiol
  • 4-Chlorophenylmercaptan
  • 4-Chlorothiophenol
  • AI3-18024
  • BRN 0605971
  • EINECS 203-408-9
  • NSC 18714
  • p-Chlorobenzenethiol
  • p-Chlorophenylmercaptan
  • p-Chlorothiophenol
  • p-Chlorthiofenol
  • p-Chlorthiofenol [Czech]
  • p-Mercaptochlorobenzene
  • Phenyl mercaptan, p-chloro-
  • UNII-1O71UA6O72

Systematic Names

  • 4-Chlorobenzenethiol
  • Benzenethiol, 4-chloro-
  • Benzenethiol, p-chloro-

Superlist Name

  • p-Chlorothiophenol

Registry Numbers

CAS Registry Number

  • 106-54-7

FDA UNII

  • 1O71UA6O72

System Generated Number

  • 0000106547

Structure Descriptors

InChI

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

InChIKey

VZXOZSQDJJNBRC-UHFFFAOYSA-N

Smiles

c1(ccc(Cl)cc1)S

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intraperitoneal 75mg/kg (75mg/kg)   National Technical Information Service. Vol. AD691-490,

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 61 deg C   EXP
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 3.30E-12 cm3/molecule-sec 25 EST

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