3-(4-Tolyl)-3-(Trifluoromethyl)Diazirine

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Properties Simple | Detailed

Formula C9H7F3N2
IUPAC Name 3-(p-tolyl)-3-(trifluoromethyl)diazirine
Molecular Mass 200.160 g·mol−1
Heat of Formation -183.7 ± 16.7 kJ·mol−1
Dipole Moment 3.86 ± 1.08 D
Volume 216.7 Å 3
Surface Area 207.18 Å 2
HOMO Energy -10.05 ± 0.55 eV
LUMO Energy 1.56 ± eV
Point Group Symmetry Cs
Synonyms
  • 3-(4-methylphenyl)-3-(trifluoromethyl)-1,2-diazirine
  • 3-(4-methylphenyl)-3-(trifluoromethyl)diazirine
  • ttfda
CAS Number(s)
  • 87736-85-4
InChIKey MZEBDXPEMDZNHB-UHFFFAOYSA-N
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DOI
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Elements H C N F