1-Naphthylisocyanate

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Properties Simple | Detailed

Formula C11H7NO
IUPAC Name 1-isocyanatonaphthalene
Molecular Mass 169.179 g·mol−1
Heat of Formation 97.4 ± 16.7 kJ·mol−1
Dipole Moment 2.67 ± 1.08 D
Volume 198.72 Å 3
Surface Area 196.16 Å 2
HOMO Energy -8.89 ± 0.55 eV
LUMO Energy -1.32 ± eV
Point Group Symmetry C1
Synonyms
  • .alpha.-naphthyl isocyanate
  • 1-naphthyl isocyanate
  • isocyanatonaphthalene
  • isocyanic acid, 1-naphthyl ester (8ci)
CAS Number(s)
  • 86-84-0
  • 30135-65-0
InChIKey BDQNKCYCTYYMAA-UHFFFAOYSA-N
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