Diethyl Phosphorisocyanatidate

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Properties Simple | Detailed

Formula C5H10NO4P
IUPAC Name 1-[ethoxy(isocyanato)phosphoryl]oxyethane
Molecular Mass 179.111 g·mol−1
Heat of Formation -990.9 ± 16.7 kJ·mol−1
Dipole Moment 3.88 ± 1.08 D
Volume 202.27 Å 3
Surface Area 203.64 Å 2
HOMO Energy -10.01 ± 0.55 eV
LUMO Energy -0.56 ± eV
Point Group Symmetry C1
Synonyms
  • 1-(ethoxy-isocyanato-phosphoryl)oxyethane
  • 1-(ethoxy-isocyanatophosphoryl)oxyethane
  • diethoxyphosphinyl isocyanate
  • diethoxyphosphoryl isocyanate
  • diethoxyphosphorylimino-keto-methane
  • diethyl phosphor(isocyanatidate)
  • phosphorisocyanatidic acid, diethyl ester
CAS Number(s)
  • 20039-33-2
InChIKey BSCBJDQIQBYMBT-UHFFFAOYSA-N
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