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Substance Name: 3-Chlorophenol
RN: 108-43-0
UNII: Z2Z7M2FTAD
InChIKey: HORNXRXVQWOLPJ-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C6-H5-Cl-O

Molecular Weight

  • 128.557
 
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Names and Synonyms

Name of Substance

  • 3-Chlorophenol

Synonyms

  • 3-Chloro-1-hydroxybenzene
  • 3-Chlorophenol
  • 3-Hydroxychlorobenzene
  • AI3-23961
  • CCRIS 641
  • EINECS 203-582-6
  • HSDB 1413
  • m-Chlorophenic acid
  • m-Chlorophenol
  • NSC 59700
  • Phenol, 3-chloro-
  • Phenol, m-chloro-
  • RTECS SM5418000
  • UNII-Z2Z7M2FTAD

Systematic Names

  • 3-Chlorophenol
  • Phenol, 3-chloro-
  • Phenol, m-chloro-

Superlist Names

  • m-Chlorophenol
  • m-Chlorophenol, liquid
  • m-Chlorophenol, liquid [UN2021] [Keep away from food]
  • m-Chlorophenol, solid
  • m-Chlorophenol, solid [UN2020] [Keep away from food]
  • UN2020
  • UN2021

Registry Numbers

CAS Registry Number

  • 108-43-0

FDA UNII

  • Z2Z7M2FTAD

System Generated Number

  • 0000108430

Structure Descriptors

InChI

1S/C6H5ClO/c7-5-2-1-3-6(8)4-5/h1-4,8H

InChIKey

HORNXRXVQWOLPJ-UHFFFAOYSA-N

Smiles

c1c(cccc1Cl)O

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 521mg/kg (521mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: RESPIRATORY STIMULATION
Toxicology Letters. Vol. 29, Pg. 39, 1985.
rat LD50 intraperitoneal 355mg/kg (355mg/kg) BEHAVIORAL: TREMOR

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
British Journal of Pharmacology and Chemotherapy. Vol. 13, Pg. 20, 1958.
rat LD50 oral 570mg/kg (570mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 2, Pg. 76, 1943.
rat LD50 subcutaneous 1390mg/kg (1390mg/kg)   Federation Proceedings, Federation of American Societies for Experimental Biology. Vol. 2, Pg. 76, 1943.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 32.6 deg C   EXP
Boiling Point 214 deg C   EXP
pKa Dissociation Constant 9.12 (none)   EXP
log P (octanol-water) 2.5 (none)   EXP
Water Solubility 2.60E+04 mg/L 20 EXP
Vapor Pressure 0.125 mm Hg 25 EXP
Henry's Law Constant 3.45E-07 atm-m3/mole 25 EXP
Atmospheric OH Rate Constant 2.36E-11 cm3/molecule-sec 25 EST

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