Parachlorobenzotrifluoride

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Properties Simple | Detailed

Formula C7H4ClF3
IUPAC Name 1-chloro-4-(trifluoromethyl)benzene
Molecular Mass 180.555 g·mol−1
Heat of Formation -611.8 ± 16.7 kJ·mol−1
Dipole Moment 1.44 ± 1.08 D
Volume 177.55 Å 3
Surface Area 177.2 Å 2
HOMO Energy -10.45 ± 0.55 eV
LUMO Energy -1.11 ± eV
Point Group Symmetry Cs
Synonyms
  • (p-chlorophenyl)trifluoromethane
  • 1-(trifluoromethyl)-4-chlorobenzene
  • 4-chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene
  • 4-chloro-a,a,a-trifluorotoluene
  • 4-chloro-alpha,alpha,alpha-trifluorotoluene
  • 4-chlorobenzotrifluoride
  • alpha,alpha,alpha-trifluoro-4-chlorotoluene
  • benzene, 1-chloro-4-(trifluoromethyl)-
  • p-(trifluoromethyl)chlorobenzene
  • p-chloro-.alpha.,.alpha.,.alpha.-trifluorotoluene
  • p-chloro-a,a,a-trifluorotoluene
  • p-chloro-alpha,alpha,alpha-trifluorotoluene
  • p-chlorobenzotrifluoride
  • p-chlorotrifluoromethylbenzene
  • p-trifluoromethylphenyl chloride
  • para-chloro-alpha,alpha,alpha-trifluorotoluene
  • para-chlorobenzotrifluoride
  • para-chlorotrifluoromethylbenzene
  • toluene, p-chloro-.alpha.,.alpha.,.alpha.-trifluoro-
  • toluene, p-chloro-alpha,alpha,alpha-trifluoro-
CAS Number(s)
  • 98-56-6
  • 92709-16-5
InChIKey QULYNCCPRWKEMF-UHFFFAOYSA-N
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Elements H C F Cl