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Substance Name: 1-Chloro-4-(trifluoromethyl)benzene
RN: 98-56-6
UNII: 694YO34JHC
InChIKey: QULYNCCPRWKEMF-UHFFFAOYSA-N

Classification Codes

  • Mutation Data
  • Tumor Data

Molecular Formula

  • C7-H4-Cl-F3

Molecular Weight

  • 180.556
 
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Names and Synonyms

Name of Substance

  • 1-Chloro-4-(trifluoromethyl)benzene
  • 4-Chloro-alpha,alpha,alpha-trifluorotoluene

Synonyms

  • (p-Chlorophenyl)trifluoromethane
  • 1-(Trifluoromethyl)-4-chlorobenzene
  • 1-Chloro-4-(trifluoromethyl)benzene
  • 4-05-00-00815 (Beilstein Handbook Reference)
  • 4-Chloro-alpha,alpha,alpha-trifluorotoluene
  • 4-Chlorobenzotrifluoride
  • alpha,alpha,alpha-Trifluoro-4-chlorotoluene
  • Benzene, 1-chloro-4-(trifluoromethyl)-
  • BRN 0510203
  • CCRIS 720
  • EC 202-681-1
  • EINECS 202-681-1
  • HSDB 4251
  • NSC 10309
  • p-(Trifluoromethyl)chlorobenzene
  • p-Chloro-alpha,alpha,alpha-trifluorotoluene
  • p-Chlorobenzotrifluoride
  • p-Chlorotrifluoromethylbenzene
  • p-Trifluoromethylphenyl chloride
  • para-Chloro-alpha,alpha,alpha-trifluorotoluene
  • para-Chlorobenzotrifluoride
  • para-Chlorotrifluoromethylbenzene
  • Toluene, p-chloro-alpha,alpha,alpha-trifluoro-
  • UNII-694YO34JHC

Systematic Names

  • 4-Chloro-alpha,alpha,alpha-trifluorotoluene
  • Benzene, 1-chloro-4-(trifluoromethyl)-
  • p-Chloro-alpha,alpha,alpha-trifluorotoluene
  • Toluene, p-chloro-alpha,alpha,alpha-trifluoro-

Superlist Names

  • Benzene, 1-chloro-4-(trifluoromethyl)-
  • p-Chloro-alpha,alpha,alpha-trifluorotoluene
  • Toluene, p-chloro-alpha,alpha,alpha-trifluoro-

Registry Numbers

CAS Registry Number

  • 98-56-6

FDA UNII

  • 694YO34JHC

Other Registry Number

  • 92709-16-5

System Generated Number

  • 0000098566

Structure Descriptors

InChI

InChI=1S/C7H4ClF3/c8-6-3-1-5(2-4-6)7(9,10)11/h1-4H

InChIKey

QULYNCCPRWKEMF-UHFFFAOYSA-N

Smiles

FC(F)(F)c1ccc(Cl)cc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LC50 inhalation 20gm/m3 (20000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(5), Pg. 49, 1984.
mouse LD50 oral 11500mg/kg (11500mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(5), Pg. 49, 1984.
rat LC50 inhalation 22gm/m3 (22000mg/m3)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(5), Pg. 49, 1984.
rat LD50 oral 13gm/kg (13000mg/kg)   Gigiena Truda i Professional'nye Zabolevaniya. Labor Hygiene and Occupational Diseases. Vol. 28(5), Pg. 49, 1984.

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -3.30E+01 deg C   EXP
Boiling Point 138.5 deg C   EXP
log P (octanol-water) 3.600 (none)   EST
Water Solubility 84.5 mg/L 25 EST
Vapor Pressure 7.63 mm Hg 25 EXP
Henry's Law Constant 0.035 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 2.40E-13 cm3/molecule-sec 25 EXP

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