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CHEBI:86154 - bromocresol purple

ChEBI IDCHEBI:86154
ChEBI Namebromocresol purple
Stars
DefinitionA member of the class of 2,1-benzoxathioles that is 2,1-benzoxathiole 1,1-dioxide in which both of the hydrogens at position 3 have been substituted by 3-bromo-4-hydroxy-5-methylphenyl groups. A hydrophilic dye that is used as a pH indicator and to measure serum albumin concentrations.
Last Modified24 June 2015
SubmitterSteve
DownloadsMolfile
FormulaC21H16Br2O5S
Net Charge0
Average Mass540.229
Monoisotopic Mass537.90852
SMILESCc1cc(C2(c3cc(C)c(O)c(Br)c3)OS(=O)(=O)c3ccccc32)cc(Br)c1O
InChIInChI=1S/C21H16Br2O5S/c1-11-7-13(9-16(22)19(11)24)21(14-8-12(2)20(25)17(23)10-14)15-5-3-4-6-18(15)29(26,27)28-21/h3-10,24-25H,1-2H3
InChIKeyABIUHPWEYMSGSR-UHFFFAOYSA-N
Wikipedia
Roles Classification
Applications:
two-colour indicator  A colour indicator that possesses a different colour on each side of the transition interval.
dye 
acid-base indicator  An acid or base which exhibits a colour change on neutralization by the basic or acidic titrant at or near the equivalence point of a titration.
ChEBI Ontology
Outgoing Relation(s)
bromocresol purple (CHEBI:86154) has role acid-base indicator (CHEBI:50407)
bromocresol purple (CHEBI:86154) has role dye (CHEBI:37958)
bromocresol purple (CHEBI:86154) has role two-colour indicator (CHEBI:50412)
bromocresol purple (CHEBI:86154) is a 2,1-benzoxathiole (CHEBI:38087)
bromocresol purple (CHEBI:86154) is a arenesulfonate ester (CHEBI:38094)
bromocresol purple (CHEBI:86154) is a organobromine compound (CHEBI:37141)
bromocresol purple (CHEBI:86154) is a polyphenol (CHEBI:26195)
bromocresol purple (CHEBI:86154) is a sultone (CHEBI:38088)
IUPAC Name 
3,3-bis(3-bromo-4-hydroxy-5-methylphenyl)-2,1λ6-benzoxathiole-1,1(3H)-dione
Synonyms  Source
HSDB 7729ChemIDplus
5',5"-dibromo-o-cresolsulfophthaleinChEBI
Manual XrefsDatabases
Bromocresol_purpleWikipedia
Registry NumbersSources
Reaxys:359618Reaxys
CAS:115-40-2ChemIDplus
Citations