Bromocresol Purple

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Properties Simple | Detailed

Formula C21H16Br2O5S
IUPAC Name 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-dioxo-2,1λ6-benzoxathiol-3-yl]-6-methyl-phenol
Molecular Mass 540.222 g·mol−1
Heat of Formation -576.9 ± 16.7 kJ·mol−1
Dipole Moment 5.61 ± 1.08 D
Volume 479.01 Å 3
Surface Area 401.87 Å 2
HOMO Energy -9.26 ± 0.55 eV
LUMO Energy -0.93 ± eV
Point Group Symmetry C1
Synonyms
  • 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-diketo-benzo[c]oxathiol-3-yl]-6-methyl-phenol
  • 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-dioxo-benzo[c][1,2]oxathiol-3-yl]-6-methyl-phenol
  • 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methyl-phenyl)-1,1-dioxo-benzo[c]oxathiol-3-yl]-6-methyl-phenol
  • 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-3-benzo[c]oxathiolyl]-6-methylphenol
  • 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxobenzo[c]oxathiol-3-yl]-6-methylphenol
  • 5,5′-dibromo-o-cresolsulfonphthalein
  • bromcresol purple
  • bromcresol purple sultone form
  • bromo-cresol purple
  • phenol, 4,4'-(1,1-dioxido-3h-2,1-benzoxathiol-3-ylidene)bis(2-bromo-6-methyl-
  • phenol, 4,4'-(3h-2,1-benzoxathiol-3-ylidene)bis(2-bromo-6-methyl-, s,s-dioxide
CAS Number(s)
  • 115-40-2
  • 518-50-3
  • 99792-85-5
InChIKey ABIUHPWEYMSGSR-UHFFFAOYSA-N
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