P-Nitrophenyl Phenylphosphonate

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Properties Simple | Detailed

Formula C18H13N2O7P
IUPAC Name 1-nitro-4-[(4-nitrophenoxy)-phenyl-phosphoryl]oxy-benzene
Molecular Mass 400.279 g·mol−1
Heat of Formation -489.0 ± 16.7 kJ·mol−1
Dipole Moment 8.10 ± 1.08 D
Volume 425.0 Å 3
Surface Area 350.79 Å 2
HOMO Energy -9.92 ± 0.55 eV
LUMO Energy -1.77 ± eV
Point Group Symmetry C1
Synonyms
  • 1-nitro-4-[(4-nitrophenoxy)-phenylphosphoryl]oxybenzene
  • bis(4-nitrophneyl phenylphosphonate
  • bis(p-nitrophenyl) phenylphosphonate
  • bis(p-nitrophenyl)phenylphosphonate
  • phenylphosphonic acid bis(p-nitrophenyl) ester
  • phosphonic acid, phenyl-, bis(p-nitrophenyl) ester
CAS Number(s)
  • 38873-91-5
InChIKey WQSNPTABRVOQCQ-UHFFFAOYSA-N
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