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Substance Name: Benzenamine, N-phenyl-3-(trifluoromethyl)- (9CI)
RN: 101-23-5
InChIKey: WJCRAVDPIMWFPG-UHFFFAOYSA-N

Molecular Formula

  • C13-H10-F3-N

Molecular Weight

  • 237.223
 
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Names and Synonyms

Synonyms

  • 3-(Trifluoromethyl)diphenylamine
  • 3-Trifluoromethyl diphenylamine
  • 4-12-00-01844 (Beilstein Handbook Reference)
  • BRN 1214959
  • EINECS 202-926-2
  • m-Trifluoromethyldiphenylamine
  • N-Phenyl-alpha,alpha,alpha-trifluoro-m-toluidine
  • NSC 50453

Systematic Names

  • Benzenamine, N-phenyl-3-(trifluoromethyl)- (9CI)
  • m-Toluidine, alpha,alpha,alpha-trifluoro-N-phenyl- (8CI)
  • m-Toluidine, N-phenyl-alpha,alpha,alpha-trifluoro-
  • N-Phenyl-3-(trifluoromethyl)aniline

Registry Numbers

CAS Registry Number

  • 101-23-5

System Generated Number

  • 0000101235

Structure Descriptors

InChI

1S/C13H10F3N/c14-13(15,16)10-5-4-8-12(9-10)17-11-6-2-1-3-7-11/h1-9,17H

InChIKey

WJCRAVDPIMWFPG-UHFFFAOYSA-N

Smiles

c1(cc(ccc1)C(F)(F)F)Nc1ccccc1

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 intravenous 100mg/kg (100mg/kg)   U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#07406,

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 4.250 (none)   EST
Water Solubility 6.470 mg/L 25 EST
Vapor Pressure 1.42E-03 mm Hg 25 EST
Henry's Law Constant 9.13E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.69E-10 cm3/molecule-sec 25 EST

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