Trichloroacetyl Isocyanate

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Properties Simple | Detailed

Formula C3Cl3NO2
IUPAC Name 2,2,2-trichloroacetyl isocyanate
Molecular Mass 188.397 g·mol−1
Heat of Formation -315.9 ± 16.7 kJ·mol−1
Dipole Moment 0.96 ± 1.08 D
Volume 165.86 Å 3
Surface Area 168.15 Å 2
HOMO Energy -11.52 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry Cs
Synonyms
  • 2,2,2-trichloro-1-isocyanato-ethanone
  • 2,2,2-trichloro-1-isocyanatoethanone
  • 2,2,2-trichloroacetyl isocyanate
  • acetyl isocyanate, trichloro-
CAS Number(s)
  • 3019-71-4
  • 82631-56-9
InChIKey GRNOZCCBOFGDCL-UHFFFAOYSA-N
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Elements C N O Cl