4,4'-(1,1-Dioxido-3H-2,1-Benzoxathiole-3,3-Diyl)Bis(2-Bromophenol)

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Formula C19H12Br2O5S
IUPAC Name 2-bromo-4-[3-(3-bromo-4-hydroxy-phenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]phenol
Molecular Mass 512.169 g·mol−1
Heat of Formation -495.5 ± 16.7 kJ·mol−1
Dipole Moment 6.31 ± 1.08 D
Volume 438.75 Å 3
Surface Area 368.08 Å 2
HOMO Energy -9.31 ± 0.55 eV
LUMO Energy -1.00 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromo-4-[3-(3-bromo-4-hydroxy-phenyl)-1,1-diketo-benzo[c]oxathiol-3-yl]phenol
  • 2-bromo-4-[3-(3-bromo-4-hydroxy-phenyl)-1,1-dioxo-benzo[c][1,2]oxathiol-3-yl]phenol
  • 2-bromo-4-[3-(3-bromo-4-hydroxy-phenyl)-1,1-dioxo-benzo[c]oxathiol-3-yl]phenol
  • 2-bromo-4-[3-(3-bromo-4-hydroxyphenyl)-1,1-dioxo-3-benzo[c]oxathiolyl]phenol
  • 2-bromo-4-[3-(3-bromo-4-hydroxyphenyl)-1,1-dioxobenzo[c]oxathiol-3-yl]phenol
  • 3′,3''-dibromophenolsulfonphthalein
  • 4,4'-(3h-2,1-benzoxathiol-3-ylidene)bis(2-bromophenol), s,s-dioxide
  • bromophenol red
  • bromophenol red sultone form
CAS Number(s)
  • 2800-80-8
InChIKey OYCLSQDXZMROJK-UHFFFAOYSA-N
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Elements C H S O Br