5-(1-Aziridinyl)-2,4-Dinitrobenzamide

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Properties Simple | Detailed

Formula C9H8N4O5
IUPAC Name 5-(aziridin-1-yl)-2,4-dinitro-benzamide
Molecular Mass 252.184 g·mol−1
Heat of Formation 55.9 ± 16.7 kJ·mol−1
Dipole Moment 4.73 ± 1.08 D
Volume 258.61 Å 3
Surface Area 243.48 Å 2
HOMO Energy -10.22 ± 0.55 eV
LUMO Energy -2.07 ± eV
Point Group Symmetry C1
Synonyms
  • 2,4-dinitro-5-ethyleneiminobenzamide
  • 2,4-dinitroethyleneiminobenzamide
  • 5-aziridino-2,4-dinitrobenzamide
  • 5-aziridinyl-2,4-dinitrobenzamide
  • 5-ethylenimino-2,4-dinitro-benzamide
  • benzamide, 5-(1-aziridinyl)-2,4-dinitro-
  • cb 1954
  • cb 954
  • cb1
  • cb1954
CAS Number(s)
  • 21919-05-1
InChIKey WOCXQMCIOTUMJV-UHFFFAOYSA-N
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