N-(2-Bromoethyl)-N'-(2-Chloroethyl)Phosphorodiamidic Acid

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Properties Simple | Detailed

Formula C4H11BrClN2O2P
IUPAC Name (2-bromoethylamino)-(2-chloroethylamino)phosphinic acid
Molecular Mass 265.473 g·mol−1
Heat of Formation -627.0 ± 16.7 kJ·mol−1
Dipole Moment 3.76 ± 1.08 D
Volume 243.08 Å 3
Surface Area 234.12 Å 2
HOMO Energy -9.34 ± 0.55 eV
LUMO Energy 0.01 ± eV
Point Group Symmetry C1
Synonyms
  • isophosphamide bromide mustard
  • phosphorodiamidic acid, n-(2-bromoethyl)-n'-(2-chloroethyl)-
CAS Number(s)
  • 132633-97-7
InChIKey ONDMKWOOMAPTPJ-UHFFFAOYSA-N
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Elements C Cl H O N P Br