1-Brom-3,3-Dimethylbutan-2-On

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Properties Simple | Detailed

Formula C6H11BrO
IUPAC Name 1-bromo-3,3-dimethyl-butan-2-one
Molecular Mass 179.055 g·mol−1
Heat of Formation -257.1 ± 16.7 kJ·mol−1
Dipole Moment 4.29 ± 1.08 D
Volume 176.98 Å 3
Surface Area 173.15 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy 3.39 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-bromo-3,3-dimethyl-2-butanone
  • 1-bromo-3,3-dimethylbutan-2-one
  • 1-bromopinacolin
  • 1-bromopinacolone
  • 2-butanone, 1-bromo-3,3-dimethyl-
  • bromomethyl tert-butyl ketone
  • bromopinacolin
  • bromopinacolone
  • pivaloylmethyl bromide
  • tert-butyl bromomethyl ketone
CAS Number(s)
  • 5469-26-1
InChIKey SAIRZMWXVJEBMO-UHFFFAOYSA-N
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Elements H C O Br