1-Fluoro-3-(Trifluoromethyl)Benzene

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Properties Simple | Detailed

Formula C7H4F4
IUPAC Name 1-fluoro-3-(trifluoromethyl)benzene
Molecular Mass 164.100 g·mol−1
Heat of Formation -767.1 ± 16.7 kJ·mol−1
Dipole Moment 2.89 ± 1.08 D
Volume 162.71 Å 3
Surface Area 165.4 Å 2
HOMO Energy -10.55 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-(trifluoromethyl)-3-fluorobenzene
  • 1-fluoro-3-(trifluoro-methyl)benzene
  • 3-fluorobenzotrifluoride
  • alpha,alpha,alpha,3-tetrafluorotoluene
  • benzene, 1-fluoro-3-(trifluoromethyl)-
  • jrd-0179
  • m,.alpha.,.alpha.,.alpha.-tetrafluorotoluene
  • m-fluorobenzotrifluoride
  • toluene, .alpha.,.alpha.,.alpha.-m-tetrafluoro-
  • toluene, m,.alpha.,.alpha.,.alpha.-tetrafluoro-
  • trifluoromethyl-3-fluorobenzene
CAS Number(s)
  • 401-80-9
InChIKey GBOWGKOVMBDPJF-UHFFFAOYSA-N
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Elements H C F