4-Nitrobenzylbromide

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Properties Simple | Detailed

Formula C7H6BrNO2
IUPAC Name 1-(bromomethyl)-4-nitro-benzene
Molecular Mass 216.032 g·mol−1
Heat of Formation 58.1 ± 16.7 kJ·mol−1
Dipole Moment 4.80 ± 1.08 D
Volume 192.59 Å 3
Surface Area 189.54 Å 2
HOMO Energy -10.47 ± 0.55 eV
LUMO Energy -1.58 ± eV
Point Group Symmetry Cs
Synonyms
  • .alpha.-bromo-4-nitrotoluene
  • .alpha.-bromo-p-nitrotoluene
  • .alpha.-bromoparanitrotoluene
  • 1-(bromomethyl)-4-nitrobenzene
  • 4-(bromomethyl)nitrobenzene
  • 4-nitrobenzyl bromide
  • alpha-bromo-4-nitrotoluene
  • alpha-bromo-p-nitrotoluene
  • alpha-bromoparanitrotoluene
  • ap-065/41884110
  • benzene, 1-(bromomethyl)-4-nitro-
  • nitrobenzyl bromide
  • p-(bromomethyl)nitrobenzene
  • p-nitrobenzyl bromide
  • toluene, .alpha.-bromo-4-nitro-
  • toluene, .alpha.-bromo-p-nitro-
  • toluene, alpha-bromo-4-nitro-
  • toluene, alpha-bromo-p-nitro-
CAS Number(s)
  • 100-11-8
InChIKey VOLRSQPSJGXRNJ-UHFFFAOYSA-N
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Elements H C O Br N