4-Nitrotoluene-2-Sulfonic Acid

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Properties Simple | Detailed

Formula C7H7NO5S
IUPAC Name 2-methyl-5-nitro-benzenesulfonic acid
Molecular Mass 217.199 g·mol−1
Heat of Formation -493.0 ± 16.7 kJ·mol−1
Dipole Moment 5.45 ± 1.08 D
Volume 215.56 Å 3
Surface Area 207.09 Å 2
HOMO Energy -10.82 ± 0.55 eV
LUMO Energy -1.92 ± eV
Point Group Symmetry C1
Synonyms
  • 2-methyl-5-nitrobenzenesulfonic acid
  • 2-toluenesulfonic acid, 5-nitro
  • 4-nitro-2-toluenesulfonic acid
  • 4-nitrotoluene-2-sulphonic acid
  • 5-nitro-2-methylbenzenesulfonic acid
  • 5-nitro-o-toluenesulfonic acid
  • benzenesulfonic acid, 2-methyl-5-nitro-
  • kyselina 4-nitrotoluen-2-sulfonova
  • o-toluenesulfonic acid, 5-nitro-
  • o-toluenesulfonic acid, 5-nitro- (8ci)
  • p-nitrotoluene-o-sulfonic acid
  • pntos
CAS Number(s)
  • 121-03-9
InChIKey ZDTXQHVBLWYPHS-UHFFFAOYSA-N
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