3-Nitro-4-Chlorobenzotrifluoride

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Properties Simple | Detailed

Formula C7H3ClF3NO2
IUPAC Name 1-chloro-2-nitro-4-(trifluoromethyl)benzene
Molecular Mass 225.552 g·mol−1
Heat of Formation -603.9 ± 16.7 kJ·mol−1
Dipole Moment 4.18 ± 1.08 D
Volume 206.22 Å 3
Surface Area 199.12 Å 2
HOMO Energy -10.95 ± 0.55 eV
LUMO Energy 0.94 ± eV
Point Group Symmetry Cs
Synonyms
  • 2-chloro-5-(trifluoromethyl)nitrobenzene
  • 2-chloro-5-trifluoromethylnitrobenzene
  • 2-nitro-4-trifluoromethylchlorobenzene
  • 3-nitro-4-chloro-alpha,alpha,alpha-trifluorotoluene
  • 3-nitro-4-chlorobenzotrifluoride [un2307] [poison]
  • 3-nitro-4-chlorotrifluoromethylbenzene
  • 4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-3-nitrotoluene
  • 4-chloro-3-nitro-1-(trifluoromethyl)benzene
  • 4-chloro-3-nitro-a,a,a-trifluorotoluene
  • 4-chloro-3-nitro-alpha,alpha,alpha-trifluorotoluene
  • 4-chloro-3-nitrobenzotrifluoride
  • 4-chloro-3-nitrobenzylidyne fluoride
  • 4-chloro-alpha,alpha,alpha-trifluoro-3-nitrotoluene
  • benzene, 1-chloro-2-nitro-4-(trifluoromethyl)-
  • benzotrifluoride, 4-chloro-3-nitro-
  • cmnt
  • mnt-cl
  • toluene, 4-chloro-.alpha.,.alpha.,.alpha.-trifluoro-3-nitro-
  • toluene, 4-chloro-3-nitro-alpha,alpha,alpha-trifluoro-
  • toluene, 4-chloro-alpha,alpha,alpha-trifluoro-3-nitro-
  • toluene, 4-chloro-alpha,alpha,alpha-trifluoro-3-nitro- (8ci)
CAS Number(s)
  • 121-17-5
InChIKey TZGFQIXRVUHDLE-UHFFFAOYSA-N
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Elements C F H Cl O N