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Substance Name: Phenyl trifluoromethyl ketone
RN: 434-45-7
UNII: 6T7L1UPY09
InChIKey: KZJRKRQSDZGHEC-UHFFFAOYSA-N

Note

  • Converted to trifluoroacetic acid in water.

Molecular Formula

  • C8-H5-F3-O

Molecular Weight

  • 174.12
 
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Names and Synonyms

Name of Substance

  • Phenyl trifluoromethyl ketone

Synonyms

  • 1,1,1-Trifluoroacetophenone
  • 2,2,2-Trifluoro-1-phenylethanone
  • 2,2,2-Trifluoroacetophenone
  • alpha,alpha,alpha-Trifluoroacetophenone
  • EINECS 207-103-1
  • NSC 42752
  • Phenyl trifluoromethyl ketone
  • Trifluoromethyl phenyl ketone
  • UNII-6T7L1UPY09

Systematic Names

  • 2,2,2-Trifluoroacetophenone
  • Acetophenone, 2,2,2-trifluoro- (8CI)
  • Ethanone, 2,2,2-trifluoro-1-phenyl-

Registry Numbers

CAS Registry Number

  • 434-45-7

FDA UNII

  • 6T7L1UPY09

System Generated Number

  • 0000434457

Structure Descriptors

InChI

1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H

InChIKey

KZJRKRQSDZGHEC-UHFFFAOYSA-N

Smiles

C(c1ccccc1)(C(F)(F)F)=O

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point -4.00E+01 deg C   EXP
Boiling Point 153 deg C   EXP
log P (octanol-water) 2.15 (none)   EXP
Water Solubility 857 mg/L 25 EST
Vapor Pressure 1.220 mm Hg 25 EST
Henry's Law Constant 7.73E-05 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 1.78E-12 cm3/molecule-sec 25 EST

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