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Substance Name: Chlorocresol [USAN:INN:NF]
RN: 59-50-7
UNII: 36W53O7109
InChIKey: CFKMVGJGLGKFKI-UHFFFAOYSA-N

Note

  • Injections for relief of intractable pain.

Molecular Formula

  • C7-H7-Cl-O

Molecular Weight

  • 142.5843
 

Classification Codes

Classification Codes

  • Antiseptic
  • Disinfectant
  • Fungicides, Industrial
  • Mutation Data
  • Pesticides

Superlist Classification Code

  • Reportable Quantity (RQ) = 5000 lb
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Names and Synonyms

Name of Substance

  • 3-Methyl-4-chlorophenol
  • 4-Chloro-3-methyl phenol
  • Chlorocresol
  • Chlorocresol [USAN:INN:NF]
  • p-Chloro-m-cresol
  • Parachlorometacresol
  • PCMC
  • Phenol, 4-chloro-3-methyl-

Synonyms

  • 2-Chloro-5-hydroxytoluene
  • 2-Chloro-hydroxytoluene
  • 3-Methyl-4-chlorophenol
  • 4-06-00-02064 (Beilstein Handbook Reference)
  • 4-Chloro-1-hydroxy-3-methylbenzene
  • 4-Chloro-3-cresol
  • 4-Chloro-3-methylphenol
  • 4-Chloro-5-methylphenol
  • 4-Chloro-m-cresol
  • 6-Chloro-3-hydroxytoluene
  • 6-Chloro-m-cresol
  • AI3-00075
  • Aptal
  • Baktol
  • Baktolan
  • BRN 1237629
  • Candaseptic
  • Caswell No. 185A
  • CCRIS 1938
  • Chlorcresolum
  • Chlorkresolum
  • Chloro-3-cresol
  • Chlorocresol
  • Chlorocresolo
  • Chlorocresolum
  • Chlorocresolum [INN-Latin]
  • Chlorocresolum [Latin]
  • Chlorokresolum
  • Clorocresol
  • Clorocresol [INN-Spanish]
  • Clorocresol [Spanish]
  • Clorocresolo
  • Clorocresolo [DCIT]
  • CMK
  • EC 200-431-6
  • EINECS 200-431-6
  • EPA Pesticide Chemical Code 064206
  • HSDB 5198
  • NSC 4166
  • Ottafact
  • p-Chlor-m-cresol
  • p-Chloro-m-cresol
  • p-Chlorocresol
  • Parachlorometacresol
  • Parmetol
  • Parol
  • PCMC
  • Peritonan
  • Perol
  • Phenol, 4-chloro-3-methyl-
  • Preventol CMK
  • Raschit
  • Raschit K
  • Rasen-Anicon
  • RCRA waste number U039
  • UNII-36W53O7109

Systematic Names

  • 4-Chloro-3-methylphenol
  • Chlorocresol
  • m-Cresol, 4-chloro-
  • Phenol, 4-chloro-3-methyl-

Superlist Names

  • 4-Chloro-3-cresol
  • 4-Chloro-m-cresol
  • p-Chloro-m-cresol
  • Phenol, 4-chloro-3-methyl-
  • RCRA waste no. U039

Registry Numbers

CAS Registry Number

  • 59-50-7

FDA UNII

  • 36W53O7109

Related Registry Number

  • 15733-22-9 (hydrochloride salt)

System Generated Number

  • 0000059507

Structure Descriptors

InChI

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

InChIKey

CFKMVGJGLGKFKI-UHFFFAOYSA-N

Smiles

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

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 70mg/kg (70mg/kg) BEHAVIORAL: COMA

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES
Quarterly Journal of Pharmacy & Pharmacology. Vol. 12, Pg. 212, 1939.
mouse LD50 oral 600mg/kg (600mg/kg) BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY) Science Reports of the Research Institutes, Tohoku University, Series C: Medicine. Vol. 36(1-4), Pg. 10, 1989.
mouse LD50 subcutaneous 360mg/kg (360mg/kg) BEHAVIORAL: GENERAL ANESTHETIC

LUNGS, THORAX, OR RESPIRATION: OTHER CHANGES

BEHAVIORAL: TREMOR
Quarterly Journal of Pharmacy & Pharmacology. Vol. 12, Pg. 212, 1939.
rat LD50 oral 1830mg/kg (1830mg/kg)   Personal Communication from P. Schmitz, Bayer AG, 5090 Leverkusen, Bayerwerk, Fed. Rep. Ger., April 4, 1986Vol. 04APR1986,
rat LD50 subcutaneous 400mg/kg (400mg/kg)   Quarterly Journal of Pharmacy & Pharmacology. Vol. 12, Pg. 212, 1939.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 67 deg C   EXP
Boiling Point 235 deg C   EXP
pKa Dissociation Constant 9.55 (none) 25 EXP
log P (octanol-water) 3.1 (none)   EXP
Water Solubility 3830 mg/L 25 EXP
Vapor Pressure 0.05 mm Hg 20 EXP
Henry's Law Constant 2.45E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.57E-11 cm3/molecule-sec 25 EST

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