2,5-Bis[Bis(2-Chloroethyl)Amino]-1,4-Benzoquinone

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Properties Simple | Detailed

Formula C14H18Cl4N2O2
IUPAC Name 2,5-bis[bis(2-chloroethyl)amino]-1,4-benzoquinone
Molecular Mass 388.117 g·mol−1
Heat of Formation -399.4 ± 16.7 kJ·mol−1
Dipole Moment 2.42 ± 1.08 D
Volume 413.83 Å 3
Surface Area 350.69 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.37 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-benzoquinone-2,5-dimustard
  • 1,4-bqdm
  • 2,5-bis[bis(2-chloroethyl)amino]-p-benzoquinone
  • 2,5-bis[bis(2-chloroethyl)amino]cyclohexa-2,5-diene-1,4-dione
  • 2,5-cyclohexadiene-1,4-dione, 2,5-bis(bis(2-chloroethyl)amino)-
CAS Number(s)
  • 15482-81-2
InChIKey ZYPXOVBSTMWXQK-UHFFFAOYSA-N
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Elements H C N O Cl