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

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Properties Simple | Detailed

Formula C10H11Cl2NO2
IUPAC Name 2-[bis(2-chloroethyl)amino]-1,4-benzoquinone
Molecular Mass 248.106 g·mol−1
Heat of Formation -258.4 ± 16.7 kJ·mol−1
Dipole Moment 2.48 ± 1.08 D
Volume 267.93 Å 3
Surface Area 240.59 Å 2
HOMO Energy -9.12 ± 0.55 eV
LUMO Energy -1.72 ± eV
Point Group Symmetry C1
Synonyms
  • 1,4-benzoquinone, 2-(n,n-bis(2-chloroethyl)amino)-
  • 2,5-cyclohexadiene-1,4-dione, 2-(bis(2-chloroethyl)amino)-
  • 2-(bis(2-chloroethyl)amino)-1,4-benzoquinone
  • 2-(n,n-bis(2-chloroethyl)amino)-1,4-benzoquinone
  • 2-[bis(2-chloroethyl)amino]-p-benzoquinone
  • 2-[bis(2-chloroethyl)amino]cyclohexa-2,5-diene-1,4-dione
  • benzoquinone mustard
  • di(2'-chloroethyl)amino-1,4-benzoquinone
CAS Number(s)
  • 2158-71-6
InChIKey CEKWNTVRJDNREA-UHFFFAOYSA-N
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Elements H C N O Cl