3-(3-Iodophenyl)-3-(Trifluoromethyl)-3H-Diazirene

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Properties Simple | Detailed

Formula C8H6F3IN2
IUPAC Name 3-(3-iodophenyl)-3-(trifluoromethyl)-1,2-diazanidacyclopropane
Molecular Mass 314.046 g·mol−1
Heat of Formation -69.2 ± 16.7 kJ·mol−1
Dipole Moment 2.55 ± 1.08 D
Volume 236.49 Å 3
Surface Area 220.94 Å 2
HOMO Energy -9.13 ± 0.55 eV
LUMO Energy -1.64 ± eV
Point Group Symmetry C1
Synonyms
  • 3-(3-iodophenyl)-3-(trifluoromethyl)-1,2-diazirine
  • 3-(trifluoromethyl)-3-(3-iodophenyl)diazirine
  • 3-(trifluoromethyl)-3-(m-iodophenyl)diazirine
  • 3h-diazirine, 3-(3-iodophenyl)-3-(trifluoromethyl)-
  • tfmipda
CAS Number(s)
  • 81340-56-9
InChIKey GWDYFACLJZJKIB-UHFFFAOYSA-N
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