P-Tolylisocyanate

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Properties Simple | Detailed

Formula C8H7NO
IUPAC Name 1-isocyanato-4-methyl-benzene
Molecular Mass 133.147 g·mol−1
Heat of Formation -15.2 ± 16.7 kJ·mol−1
Dipole Moment 3.59 ± 1.08 D
Volume 165.43 Å 3
Surface Area 173.03 Å 2
HOMO Energy -9.41 ± 0.55 eV
LUMO Energy -0.76 ± eV
Point Group Symmetry C1
Synonyms
  • 1-isocyanato-4-methylbenzene
  • 4-isocyanatotoluene
  • 4-methylphenyl isocyanate
  • 4-tolyl isocyanate
  • benzene, 1-isocyanato-4-methyl-
  • isocyanic acid, p-tolyl ester
  • isocyanic acid, p-tolyl ester (7ci,8ci)
  • p-isocyanatotoluene
  • p-methylphenyl isocyanate
  • p-toluene isocyanate
  • p-tolyl isocyanate
CAS Number(s)
  • 622-58-2
InChIKey MGYGFNQQGAQEON-UHFFFAOYSA-N
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