3-(Trifluoromethyl)-1,2-Benzenediol

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Properties Simple | Detailed

Formula C7H5F3O2
IUPAC Name 3-(trifluoromethyl)benzene-1,2-diol
Molecular Mass 178.109 g·mol−1
Heat of Formation -932.5 ± 16.7 kJ·mol−1
Dipole Moment 1.06 ± 1.08 D
Volume 173.34 Å 3
Surface Area 173.14 Å 2
HOMO Energy -9.43 ± 0.55 eV
LUMO Energy -0.90 ± eV
Point Group Symmetry C1
Synonyms
  • 1,2-benzenediol, 3-(trifluoromethyl)-
  • 3-(trifluoromethyl)pyrocatechol
  • 3-tfm-catechol
  • 3-trifluoromethylcatechol
CAS Number(s)
  • 113678-92-5
  • 84559-08-0
InChIKey QNQKVMUAFHMBTP-UHFFFAOYSA-N
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