α-Nitrotoluene

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Properties Simple | Detailed

Formula C7H7NO2
IUPAC Name nitromethylbenzene
Molecular Mass 137.136 g·mol−1
Heat of Formation 60.3 ± 16.7 kJ·mol−1
Dipole Moment 4.08 ± 1.08 D
Volume 160.38 Å 3
Surface Area 164.9 Å 2
HOMO Energy -10.08 ± 0.55 eV
LUMO Energy 2.71 ± eV
Point Group Symmetry Cs
Synonyms
  • (nitromethyl)benzene
  • .alpha.-nitrotoluene
  • benzene, (nitromethyl)-
  • benzene, (nitromethyl)- (9ci)
  • benzyl-dihydroxy-amine
  • n,n-dihydroxy-1-phenyl-methanamine
  • n,n-dihydroxy-1-phenylmethanamine
  • nitrophenylmethane
  • nitrophenylmethane (van)
  • phenylnitromethane
  • toluene, .alpha.-nitro-
  • toluene, alpha-nitro- (8ci)
  • toluene,alpha-nitro
CAS Number(s)
  • 622-42-4
InChIKey VLZLOWPYUQHHCG-UHFFFAOYSA-N
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