Cyclohexylisocyanate

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Properties Simple | Detailed

Formula C7H11NO
IUPAC Name isocyanatocyclohexane
Molecular Mass 125.168 g·mol−1
Heat of Formation -168.1 ± 16.7 kJ·mol−1
Dipole Moment 3.36 ± 1.08 D
Volume 164.43 Å 3
Surface Area 166.33 Å 2
HOMO Energy -10.16 ± 0.55 eV
LUMO Energy 0.71 ± eV
Point Group Symmetry Cs
Synonyms
  • cyclohexane, isocyanato-
  • cyclohexyl isocyanate
  • cyclohexyl isocyanate [un2488] [poison]
  • cyclohexyl,isocyanate
  • isocyanic acid, cyclohexyl ester
CAS Number(s)
  • 3173-53-3
InChIKey KQWGXHWJMSMDJJ-UHFFFAOYSA-N
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