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Substance Name: Clorophene [USAN]
RN: 120-32-1
UNII: 7560BB0BO3
InChIKey: NCKMMSIFQUPKCK-UHFFFAOYSA-N

Classification Codes

  • Agricultural Chemical
  • Anti-Infective Agents
  • Anti-Infective Agents, Local
  • Disinfectant
  • Germicide, Bactericide, Disinfectant
  • Mutation Data
  • Tumor Data

Molecular Formula

  • C13-H11-Cl-O

Molecular Weight

  • 218.682
 
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Names and Synonyms

Name of Substance

  • 4-Chloro-2-benzylphenol
  • Chlorophene
  • Clorofene [INN]
  • Clorophene
  • Clorophene [USAN]
  • o-Benzyl-p-chlorophenol
  • Phenol, 4-chloro-2-benzyl-

Synonyms

  • 2-Benzyl-4-chlorophenol
  • 4-06-00-04636 (Beilstein Handbook Reference)
  • 4-Chloro-2-(phenylmethyl)phenol
  • 4-Chloro-2-benzylphenol
  • 4-Chloro-alpha-phenyl-o-cresol
  • 4-Chloro-alpha-phenyl-ortho-cresol
  • 5-Chloro-2-hydroxydiphenylmethane
  • AI3-08523
  • Benzylchlorophenol
  • Bio-Clave
  • BRN 1959194
  • Caswell No. 083
  • CCRIS 6205
  • Chlorophene
  • Clorofene
  • Clorofeno
  • Clorofeno [INN-Spanish]
  • Clorofenum
  • Clorofenum [INN-Latin]
  • Clorophene
  • EINECS 204-385-8
  • EPA Pesticide Chemical Code 062201
  • HSDB 5179
  • Ketolin-H
  • NCI-C61201
  • Neosabenyl
  • NSC 59989
  • o-Benzyl-p-chlorophenol
  • o-Benzylchlorophenol
  • o-Cresol, 4-chloro-alpha-phenyl-
  • Orthobenzyl-p-chlorophenol
  • Orthobenzylparachlorophenol
  • p-Chloro-o-benzylphenol
  • Phenol, 4-chloro-2-(phenylmethyl)-
  • Santophen 1
  • Santophen 1 flake
  • Santophen 1 solution
  • Santophen I
  • Santophen I germicide
  • Septiphene
  • UNII-7560BB0BO3

Systematic Names

  • 5-Chloro-2-hydroxydiphenylmethane
  • Clorofene
  • o-Benzyl-p-chlorophenol
  • o-Cresol, 4-chloro-alpha-phenyl-
  • Phenol, 4-chloro-2-(phenylmethyl)-

Superlist Names

  • 2-Benzyl-4-chlorophenol
  • o-Benzyl-p-chlorophenol

Registry Numbers

CAS Registry Number

  • 120-32-1

FDA UNII

  • 7560BB0BO3

Other Registry Numbers

  • 144246-47-9
  • 8013-49-8

Related Registry Numbers

  • 3184-65-4 (hydrochloride salt)
  • 35471-49-9 (potassium salt)

System Generated Number

  • 0000120321

Structure Descriptors

InChI

1S/C13H11ClO/c14-12-6-7-13(15)11(9-12)8-10-4-2-1-3-5-10/h1-7,9,15H,8H2

InChIKey

NCKMMSIFQUPKCK-UHFFFAOYSA-N

Smiles

c1(c(ccc(c1)Cl)O)Cc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
guinea pig LDLo oral 3gm/kg (3000mg/kg)   National Technical Information Service. Vol. OTS0520317,
mouse LD50 oral 65mg/kg (65mg/kg) LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)

BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD
Pharmacology and Toxicology. English translation of FATOAO. Vol. 22, Pg. 270, 1959.
mouse LD50 subcutaneous 350mg/kg (350mg/kg) BEHAVIORAL: CONVULSIONS OR EFFECT ON SEIZURE THRESHOLD

LUNGS, THORAX, OR RESPIRATION: DYSPNEA

BEHAVIORAL: SOMNOLENCE (GENERAL DEPRESSED ACTIVITY)
Pharmacology and Toxicology. English translation of FATOAO. Vol. 22, Pg. 270, 1959.
rabbit LDLo oral 620mg/kg (620mg/kg)   National Technical Information Service. Vol. OTS0518161,
rabbit LDLo skin 5010mg/kg (5010mg/kg) BLOOD: CHANGES IN SPLEEN

BEHAVIORAL: MUSCLE WEAKNESS

LIVER: CHANGE IN GALL BLADDER STRUCTURE OR FUNCTION
National Technical Information Service. Vol. OTS0520434,
rat LC inhalation > 13200mg/m3/6 (13200mg/m3)   National Technical Information Service. Vol. OTS0520434,
rat LD50 oral 1700mg/kg (1700mg/kg)   Journal of Pharmaceutical Sciences. Vol. 63, Pg. 1068, 1974.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 48.5 deg C   EXP
log P (octanol-water) 4.180 (none)   EST
Water Solubility 149 mg/L 25 EXP
Vapor Pressure 5.06E-05 mm Hg 25 EST
Henry's Law Constant 9.96E-09 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.78E-11 cm3/molecule-sec 25 EST

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