1-Benzoyl-3,3,3-Trifluoroacetone

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Properties Simple | Detailed

Formula C10H7F3O2
IUPAC Name 4,4,4-trifluoro-1-phenyl-butane-1,3-dione
Molecular Mass 216.157 g·mol−1
Heat of Formation -838.1 ± 16.7 kJ·mol−1
Dipole Moment 5.28 ± 1.08 D
Volume 227.04 Å 3
Surface Area 222.32 Å 2
HOMO Energy -10.46 ± 0.55 eV
LUMO Energy -0.94 ± eV
Point Group Symmetry C1
Synonyms
  • .omega.-(trifluoroacetyl)acetophenone
  • 1,3-butanedione, 4,4,4-trifluoro-1-phenyl-
  • 1-benzoyl-3,3,3-trifluoro-2-propanone
  • 3-benzoyl-1,1,1-trifluoroacetone
  • 4,4,4-trifluoro-1-phenyl-1,3-butanedione
  • 4,4,4-trifluoro-1-phenylbutane-1,3-dione
  • benzoyl(trifluoroacetyl)methane
  • bta
  • omega-(trifluoroacetyl)acetophenone
  • tos-bb-0660
CAS Number(s)
  • 326-06-7
InChIKey VVXLFFIFNVKFBD-UHFFFAOYSA-N
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