4-Nitrobenzyl Chloride

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Properties Simple | Detailed

Formula C7H6ClNO2
IUPAC Name 1-(chloromethyl)-4-nitro-benzene
Molecular Mass 171.581 g·mol−1
Heat of Formation 11.5 ± 16.7 kJ·mol−1
Dipole Moment 4.71 ± 1.08 D
Volume 185.94 Å 3
Surface Area 183.91 Å 2
HOMO Energy -10.72 ± 0.55 eV
LUMO Energy 1.40 ± eV
Point Group Symmetry Cs
Synonyms
  • .alpha.-chloro-p-nitrotoluene
  • 1-(chloromethyl)-4-nitrobenzene
  • 4-(chloromethyl)nitrobenzene
  • alpha-chloro-4-nitrotoluene
  • alpha-chloro-p-nitrotoluene
  • benzene, 1-(chloromethyl)-4-nitro-
  • benzene, 1-chloromethyl-4-nitro-
  • benzyl chloride, 4-nitro-
  • p-(chloromethyl)nitrobenzene
  • p-nitrobenzyl chloride
  • toluene, .alpha.-chloro-p-nitro-
  • toluene, alpha-chloro-p-nitro-
CAS Number(s)
  • 100-14-1
InChIKey KGCNHWXDPDPSBV-UHFFFAOYSA-N
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Elements H C N O Cl