2-Cyanoethyl Phosphorodichloridoite

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Properties Simple | Detailed

Formula C3H4Cl2NOP
IUPAC Name 3-dichlorophosphanyloxypropanenitrile
Molecular Mass 171.950 g·mol−1
Heat of Formation -378.6 ± 16.7 kJ·mol−1
Dipole Moment 3.58 ± 1.08 D
Volume 165.34 Å 3
Surface Area 159.41 Å 2
HOMO Energy -10.18 ± 0.55 eV
LUMO Energy 1.52 ± eV
Point Group Symmetry C1
Synonyms
  • 3-dichlorophosphanyloxypropionitrile
  • beta-cyanoethyl phosphorodichloridite
  • cepdc
  • phosphorodichloridous acid, 2-(((3alpha,5beta)-3-hydroxy-7,24-dioxocholan-24-yl)amino)-, (sp-4-2)-
CAS Number(s)
  • 76101-30-9
InChIKey ZSJQVOIPLQDHCE-UHFFFAOYSA-N
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Elements C Cl H O N P