2,6-Dinitro-4-(Trifluoromethyl)Benzenesulfonic Acid

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Properties Simple | Detailed

Formula C7H3F3N2O7S
IUPAC Name 2,6-dinitro-4-(trifluoromethyl)benzenesulfonic acid
Molecular Mass 316.168 g·mol−1
Heat of Formation -1037.2 ± 16.7 kJ·mol−1
Dipole Moment 3.07 ± 1.08 D
Volume 272.51 Å 3
Surface Area 245.83 Å 2
HOMO Energy -11.80 ± 0.55 eV
LUMO Energy 0.29 ± eV
Point Group Symmetry C1
Synonyms
  • 2,6-dinitro-4-trifluoromethylbenzenesulfonate
  • 2,6-dinitro-4-trifluoromethylbenzenesulfonic acid
  • 2,6-dinitro-tfmbsa
  • 4-trifluoromethyl-2,6-dinitrophenyl sulfonate
  • benzenesulfonic acid, 2,6-dinitro-4-(trifluoromethyl)-
  • tfmdnps
CAS Number(s)
  • 54729-99-6
InChIKey IVFGXTYRSDHGSH-UHFFFAOYSA-N
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