[{3-[Bis(2-Chloroethyl)Amino]-4-Methylphenyl}(Hydroxy)Methylene]Bis(Phosphonic Acid)

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Properties Simple | Detailed

Formula C12H19Cl2NO7P2
IUPAC Name [[3-[bis(2-chloroethyl)amino]-4-methyl-phenyl]-hydroxy-phosphono-methyl]phosphonic acid
Molecular Mass 422.135 g·mol−1
Heat of Formation -1795.4 ± 16.7 kJ·mol−1
Dipole Moment 6.15 ± 1.08 D
Volume 441.69 Å 3
Surface Area 350.09 Å 2
HOMO Energy -8.84 ± 0.55 eV
LUMO Energy -0.28 ± eV
Point Group Symmetry C1
Synonyms
  • ((3-(bis(2-chloroethyl)amino)-4-methylphenyl)hyd roxymethylene)bis-phosphonic acid
  • ((3-(bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethane)bisphosphonic acid
  • ((3-(bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethylene)bisphosphonic acid
  • 3-(bis(2-chloroethyl)amino)-4-methylphenyl-hydroxymethanbiphosphonic acid
  • [[3-[bis(2-chloroethyl)amino]-4-methylphenyl]-hydroxy-phosphonomethyl]phosphonic acid
  • phosphonic acid, ((3-(bis(2-chloroethyl)amino)-4-methylphenyl)hydroxymethylene)bis-
CAS Number(s)
  • 106871-13-0
InChIKey SBZOGCANHKAYKV-UHFFFAOYSA-N
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