5-Amino-2-Nitrobenzotrifluoride

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Properties Simple | Detailed

Formula C7H5F3N2O2
IUPAC Name 4-nitro-3-(trifluoromethyl)aniline
Molecular Mass 206.122 g·mol−1
Heat of Formation -592.9 ± 16.7 kJ·mol−1
Dipole Moment 9.23 ± 1.08 D
Volume 195.51 Å 3
Surface Area 190.86 Å 2
HOMO Energy -9.64 ± 0.55 eV
LUMO Energy -1.46 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-trifluoromethyl-4-nitroanilide
  • 4-nitro-alpha,alpha,alpha-trifluoro-m-toluidine
  • [4-nitro-3-(trifluoromethyl)phenyl]amine
  • benzenamine, 4-nitro-3-(trifluoromethyl)-
  • fr-2278
CAS Number(s)
  • 393-11-3
InChIKey UTKUVRNVYFTEHF-UHFFFAOYSA-N
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