2,3,4,5-Tetrabromo-6-[(4-Hydroxyphenyl)(4-Oxo-2,5-Cyclohexadien-1-Ylidene)Methyl]Benzenesulfonic Acid

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Properties Simple | Detailed

Formula C19H10Br4O5S
IUPAC Name 2,3,4,5-tetrabromo-6-[(4-hydroxyphenyl)-(4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonic acid
Molecular Mass 669.961 g·mol−1
Heat of Formation -375.8 ± 16.7 kJ·mol−1
Dipole Moment 2.56 ± 1.08 D
Volume 493.47 Å 3
Surface Area 387.95 Å 2
HOMO Energy -9.15 ± 0.55 eV
LUMO Energy -1.87 ± eV
Point Group Symmetry C1
Synonyms
  • 2,3,4,5-tetrabromo-6-[(4-hydroxyphenyl)-(4-keto-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonic acid
  • 2,3,4,5-tetrabromo-6-[(4-hydroxyphenyl)-(4-oxo-1-cyclohexa-2,5-dienylidene)methyl]benzenesulfonic acid
  • 3,4,5,6-tetrabromophenolsulfonephthalein
  • 3456-tbsp
  • 4,4'-(4,5,6,7-tetrabromo-3h-2,1-benzoxathiol-3-ylidene)bisphenol s,s-dioxide
  • phenol, 4,4'-(4,5,6,7-tetrabromo-3h-2,1-benzoxathiol-3-ylidene)bis-, s,s-dioxide
  • tetrabromosulfonephthalein
CAS Number(s)
  • 77172-72-6
  • 128915-86-6
  • 123333-63-1
InChIKey FUQZKEYZOQPRRU-UHFFFAOYSA-N
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Elements C H S O Br