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This is an old revision of this page, as edited by Beetstra (talk | contribs) at 12:55, 10 January 2012 (Saving copy of the {{chembox}} taken from revid 466096932 of page Thenoyltrifluoroacetone for the Chem/Drugbox validation project (updated: '').). The present address (URL) is a permanent link to this revision, which may differ significantly from the current revision.

Revision as of 12:55, 10 January 2012 by Beetstra (talk | contribs) (Saving copy of the {{chembox}} taken from revid 466096932 of page Thenoyltrifluoroacetone for the Chem/Drugbox validation project (updated: '').)(diff) ← Previous revision | Latest revision (diff) | Newer revision → (diff)
This page contains a copy of the infobox ({{chembox}}) taken from revid 466096932 of page Thenoyltrifluoroacetone with values updated to verified values.
Thenoyltrifluoroacetone
Names
IUPAC name 4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione
Other names 2-thenoyltrifluoroacetone
Identifiers
CAS Number
3D model (JSmol)
ChemSpider
DrugBank
PubChem CID
InChI
  • InChI=1S/C8H5F3O2S/c9-8(10,11)7(13)4-5(12)6-2-1-3-14-6/h1-3H,4H2Key: TXBBUSUXYMIVOS-UHFFFAOYSA-N
  • Key: TXBBUSUXYMIVOS-UHFFFAOYAR
SMILES
  • O=C(c1sccc1)CC(=O)C(F)(F)F
Properties
Chemical formula C8H5F3O2S
Molar mass 222.18 g mol
Appearance fine, slightly yellow crystals
Melting point 40–44 °C
Boiling point 96–98 °C
Hazards
Occupational safety and health (OHS/OSH):
Main hazards Xi
Flash point 112 °C (closed cup)
Except where otherwise noted, data are given for materials in their standard state (at 25 °C , 100 kPa). checkverify (what is  ?) Infobox references
Chemical compound
  1. Sigma-Aldrich product page