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Substance Name: 4-Chloro-2-methylphenol
RN: 1570-64-5
UNII: 297V63W9RI
InChIKey: RHPUJHQBPORFGV-UHFFFAOYSA-N

Note

  • Metabolite of 2-methyl-4-chlorophenoxyacetic acid & other phenoxyacetic acid herbicides.

Classification Code

  • Mutation Data

Molecular Formula

  • C7-H7-Cl-O

Molecular Weight

  • 142.5843
 
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Names and Synonyms

Name of Substance

  • 4-Chloro-2-cresol
  • 4-Chloro-2-methylphenol

Synonyms

  • 2-Methyl-4-chlorophenol
  • 4-06-00-01987 (Beilstein Handbook Reference)
  • 4-Chloro-2-cresol
  • 4-Chloro-2-methylphenol
  • 4-Chloro-o-cresol
  • AI3-24520
  • BRN 1906684
  • CCRIS 1939
  • EC 216-381-3
  • EINECS 216-381-3
  • HSDB 5841
  • NSC 2851
  • o-Cresol, 4-chloro-
  • p-Chloro-o-cresol
  • Phenol, 4-chloro-2-methyl-
  • UNII-297V63W9RI

Systematic Names

  • 4-Chloro-2-methylphenol
  • 4-Chloro-o-cresol
  • o-Cresol, 4-chloro-
  • Phenol, 4-chloro-2-methyl-

Superlist Name

  • 4-Chloro-2-methylphenol

Registry Numbers

CAS Registry Number

  • 1570-64-5

FDA UNII

  • 297V63W9RI

Related Registry Number

  • 52106-86-2 (hydrochloride salt)

System Generated Number

  • 0001570645

Structure Descriptors

InChI

1S/C7H7ClO/c1-5-4-6(8)2-3-7(5)9/h2-4,9H,1H3

InChIKey

RHPUJHQBPORFGV-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)Cl)O)C

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 56mg/kg (56mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03270,
mouse LD50 oral 1320mg/kg (1320mg/kg)   Pharmazie. Vol. 30, Pg. 147, 1975.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 51 deg C   EXP
Boiling Point 223 deg C   EXP
pKa Dissociation Constant 9.71 (none) 25 EXP
log P (octanol-water) 2.63 (none)   EXP
Water Solubility 4000 mg/L 25 EXP
Vapor Pressure 0.024 mm Hg 25 EXP
Henry's Law Constant 1.13E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.22E-11 cm3/molecule-sec 25 EST

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