4-Nitrotoluene

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Properties Simple | Detailed

Formula C7H7NO2
IUPAC Name 1-methyl-4-nitro-benzene
Molecular Mass 137.136 g·mol−1
Heat of Formation 31.6 ± 16.7 kJ·mol−1
Dipole Moment 5.98 ± 1.08 D
Volume 159.86 Å 3
Surface Area 165.38 Å 2
HOMO Energy -10.36 ± 0.55 eV
LUMO Energy -1.19 ± eV
Point Group Symmetry Cs
Synonyms
  • 1-methyl-4-nitrobenzene
  • 4-methylnitrobenzene
  • 4-nitrotoluol
  • benzene, 1-methyl-4-nitro-
  • dihydroxy-(4-methylphenyl)amine
  • n,n-dihydroxy-4-methyl-aniline
  • n,n-dihydroxy-4-methylaniline
  • nitrotoluene, p-
  • nitrotoluene, p-isomer
  • nitrotoluenos [spanish]
  • p-methylnitrobenzene
  • p-nitrotoluene
  • p-nitrotoluene, liquid or solid [un1664] [poison]
  • para-nitrotoluol
  • toluene, p-nitro-
  • toluene,4-nitro mfc7 h7 n1 o2
CAS Number(s)
  • 99-99-0
InChIKey ZPTVNYMJQHSSEA-UHFFFAOYSA-N
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