Bis(4-Nitrophenyl) (Dichloromethyl)Phosphonate

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Properties Simple | Detailed

Formula C13H9Cl2N2O7P
IUPAC Name 1-[dichloromethyl-(4-nitrophenoxy)phosphoryl]oxy-4-nitro-benzene
Molecular Mass 407.100 g·mol−1
Heat of Formation -613.3 ± 16.7 kJ·mol−1
Dipole Moment 7.62 ± 1.08 D
Volume 397.57 Å 3
Surface Area 333.86 Å 2
HOMO Energy -10.11 ± 0.55 eV
LUMO Energy 1.08 ± eV
Point Group Symmetry C1
Synonyms
  • (dichloromethyl)phosphonic acid, bis(4-nitrophenyl) ester
  • dichloromethyl o,o-di-(4-nitrophenyl) phosphonate
  • dichloromethyl o,o-di-(p-nitrophenyl)phosphonate
CAS Number(s)
  • 40911-41-9
InChIKey RSSWEUBIHKBNQG-UHFFFAOYSA-N
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Elements C Cl H O N P