3,5-Dinitrophenylisocyanate

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Properties Simple | Detailed

Formula C7H3N3O5
IUPAC Name 1-isocyanato-3,5-dinitro-benzene
Molecular Mass 209.116 g·mol−1
Heat of Formation 13.6 ± 16.7 kJ·mol−1
Dipole Moment 3.17 ± 1.08 D
Volume 210.25 Å 3
Surface Area 209.56 Å 2
HOMO Energy -10.59 ± 0.55 eV
LUMO Energy 0.63 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-isocyanato-3,5-dinitrobenzene
  • 3,5-dinitrophenyl isocyanate
  • benzene, 1-isocyanato-3,5-dinitro-
CAS Number(s)
  • 59776-60-2
InChIKey JZPRXQSCMBDGKP-UHFFFAOYSA-N
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