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Substance Name: Trifluoromethanesulfonanilide
RN: 456-64-4
InChIKey: OXDSKEQSEGDAFN-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C7-H6-F3-N-O2-S

Molecular Weight

  • 225.189
 
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Names and Synonyms

Name of Substance

  • Trifluoromethanesulfonanilide

Synonyms

  • 4-12-00-01061 (Beilstein Handbook Reference)
  • BRN 2214142
  • Methanesulfonanilide, 1,1,1-trifluoro-
  • N-Phenyl-1,1,1-trifluoromethanesulfonamide
  • N-Phenyltriflamide
  • Trifluoromethanesulfonanilide

Systematic Name

  • Methanesulfonamide, N-phenyl-1,1,1-trifluoro-

Registry Numbers

CAS Registry Number

  • 456-64-4

System Generated Number

  • 0000456644

Structure Descriptors

InChI

1S/C7H6F3NO2S/c8-7(9,10)14(12,13)11-6-4-2-1-3-5-6/h1-5,11H

InChIKey

OXDSKEQSEGDAFN-UHFFFAOYSA-N

Smiles

c1ccccc1NS(=O)(=O)C(F)(F)F

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD50 oral 143mg/kg (143mg/kg)   Farmaco, Edizione Scientifica. Vol. 43, Pg. 113, 1988.

Physical Properties

Physical Property Value Units Temp (deg C) Source
log P (octanol-water) 3.05 (none)   EXP
Water Solubility 80.3 mg/L 25 EST
Vapor Pressure 1.35E-03 mm Hg 25 EST
Henry's Law Constant 9.18E-06 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 4.27E-11 cm3/molecule-sec 25 EST

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