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Substance Name: Thenoyltrifluoroacetone
RN: 326-91-0
UNII: MYQ9MNW7NI
InChIKey: TXBBUSUXYMIVOS-UHFFFAOYSA-N

Note

  • Chelating agent and inhibitor of cellular respiration.

Classification Codes

  • Chelating Agents
  • Sequestering Agents

Molecular Formula

  • C8-H5-F3-O2-S

Molecular Weight

  • 222.1855
 
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Names and Synonyms

Name of Substance

  • Thenoyltrifluoroacetone

MeSH Heading

  • Thenoyltrifluoroacetone

Synonyms

  • 1,1,1-Trifluoro-3-(2-thenoyl)acetone
  • 1-Thenoyl-3,3,3-trifluoroacetone
  • 2-Thenoyltrifluoroacetone
  • 4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione
  • AI3-31295
  • alpha-Thenoyltrifluoroacetone
  • EINECS 206-316-7
  • NSC 66544
  • Perfluoroacetyl(2-thenoyl)methane
  • TTA
  • TTB
  • UNII-MYQ9MNW7NI

Systematic Names

  • 1,3-Butanedione, 4,4,4-trifluoro-1-(2-thienyl)-
  • 4,4,4-Trifluoro-1-(2-thienyl)butane-1,3-dione

Registry Numbers

CAS Registry Number

  • 326-91-0

FDA UNII

  • MYQ9MNW7NI

Other Registry Numbers

  • 2122854-03-7
  • 365439-57-2

System Generated Number

  • 0000326910

Structure Descriptors

InChI

InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2

InChIKey

TXBBUSUXYMIVOS-UHFFFAOYSA-N

Smiles

FC(F)(F)C(=O)CC(=O)c1cccs1

Physical Properties

Physical Property Value Units Temp (deg C) Source
Melting Point 42 deg C   EXP
log P (octanol-water) 1.46 (none)   EXP
Water Solubility 1900 mg/L 25 EST
Vapor Pressure 6.90E-03 mm Hg 25 EST
Henry's Law Constant 2.82E-08 atm-m3/mole 25 EST
Atmospheric OH Rate Constant 8.76E-12 cm3/molecule-sec 25 EST

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