3-Nitrotoluol

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Properties Simple | Detailed

Formula C7H7NO2
IUPAC Name 1-methyl-3-nitro-benzene
Molecular Mass 137.136 g·mol−1
Heat of Formation 34.4 ± 16.7 kJ·mol−1
Dipole Moment 5.51 ± 1.08 D
Volume 160.31 Å 3
Surface Area 165.64 Å 2
HOMO Energy -10.28 ± 0.55 eV
LUMO Energy -1.23 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-methyl-3-nitrobenzene
  • 3-methylnitrobenzene
  • 3-nitrotoluene
  • 3nt
  • benzene, 1-methyl-3-nitro-
  • m-methylnitrobenzene
  • m-nitrotoluene
  • m-nitrotoluene, liquid or solid [un1664] [poison]
  • m-nitrotoluol
  • meta-nitrotoluene
  • meta-nitrotoluol
  • nitrotoluene, m-
  • nitrotoluene, m-isomer
  • toluene, m-nitro-
CAS Number(s)
  • 99-08-1
InChIKey QZYHIOPPLUPUJF-UHFFFAOYSA-N
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