1-Chloropinacolone

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Properties Simple | Detailed

Formula C6H11ClO
IUPAC Name 1-chloro-3,3-dimethyl-butan-2-one
Molecular Mass 134.604 g·mol−1
Heat of Formation -302.6 ± 16.7 kJ·mol−1
Dipole Moment 4.52 ± 1.08 D
Volume 170.39 Å 3
Surface Area 167.28 Å 2
HOMO Energy -10.12 ± 0.55 eV
LUMO Energy 3.56 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-chloro-3,3-dimethyl-2-butanone
  • 1-chloro-3,3-dimethylbutan-2-one
  • 1-monochloropinacoline
  • 2-butanone, 1-chloro-3,3-dimethyl-
  • alpha-chloropinacolin
  • alpha-chloropinacoline
  • chloromethyl tert-butyl ketone
  • chlorpinakolin
  • tert-butyl chloromethyl ketone
CAS Number(s)
  • 13547-70-1
InChIKey ULSAJQMHTGKPIY-UHFFFAOYSA-N
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Elements H C O Cl