Methyl Isocyanate

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Properties Simple | Detailed

Formula C2H5NO
IUPAC Name methyl(oxomethyl)azanide
Molecular Mass 59.067 g·mol−1
Heat of Formation -101.8 ± 16.7 kJ·mol−1
Dipole Moment 3.22 ± 1.08 D
Volume 73.73 Å 3
Surface Area 92.37 Å 2
HOMO Energy -10.42 ± 0.55 eV
LUMO Energy 0.14 ± eV
Point Group Symmetry Cs
Synonyms
  • (methylimino)(oxo)methane
  • iso-cyanatomethane
  • isocyanate de methyle
  • isocyanate, methyl-
  • isocyanatomethane
  • isocyanic acid, methyl ester
  • keto-methylimino-methane
  • methane, (methylimino)oxo-
  • methane, isocyanato-
  • methyl carbonimide
  • methyl isocyanat
  • methyl isocyanate [un2480] [poison]
  • methylcarbylamine
  • methylimino-oxo-methane
  • methylimino-oxomethane
  • methylisocyanaat
  • metil isocianato
  • tl 1450
CAS Number(s)
  • 30108-95-3
  • 624-83-9
InChIKey HAMGRBXTJNITHG-UHFFFAOYSA-N
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