3-Chlorobenzotrifluoride

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Properties Simple | Detailed

Formula C7H4ClF3
IUPAC Name 1-chloro-3-(trifluoromethyl)benzene
Molecular Mass 180.555 g·mol−1
Heat of Formation -609.4 ± 16.7 kJ·mol−1
Dipole Moment 2.90 ± 1.08 D
Volume 176.52 Å 3
Surface Area 176.83 Å 2
HOMO Energy -10.33 ± 0.55 eV
LUMO Energy -1.09 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene
  • 3-chloro-alpha,alpha,alpha-trifluorotoluene
  • benzene, 1-chloro-3-(trifluoromethyl)-
  • m-chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene
  • m-chloro-alpha,alpha,alpha-trifluorotoluene
  • m-chlorobenzotrifluoride
  • m-trifluoromethylphenyl chloride
  • meta(trifluoromethyl)chlorobenzene
  • toluene, m-chloro-.alpha.,.alpha.,.alpha.-trifluoro-
  • toluene, m-chloro-alpha,alpha,alpha-trifluoro- (8ci)
CAS Number(s)
  • 98-15-7
InChIKey YTCGOUNVIAWCMG-UHFFFAOYSA-N
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Elements H C F Cl