1-Bromo-3,3,3-Trifluoroacetone

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Properties Simple | Detailed

Formula C3H2BrF3O
IUPAC Name 3-bromo-1,1,1-trifluoro-propan-2-one
Molecular Mass 190.947 g·mol−1
Heat of Formation -790.1 ± 16.7 kJ·mol−1
Dipole Moment 2.49 ± 1.08 D
Volume 138.72 Å 3
Surface Area 145.93 Å 2
HOMO Energy -10.80 ± 0.55 eV
LUMO Energy 2.12 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-bromo-1,1,1-trifluoro-2-propanone
  • 3-bromo-1,1,1-trifluoro-acetone
  • 3-bromo-1,1,1-trifluoroacetone
  • 3-bromo-1,1,1-trifluoropropan-2-one
  • 3-bromo-1,1,1-trifluoropropanone
  • bromotrifluoroacetone
CAS Number(s)
  • 431-35-6
InChIKey ONZQYZKCUHFORE-UHFFFAOYSA-N
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Elements H C O Br F