bromocresol purple (CHEBI:86154)

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ChEBI Name	bromocresol purple

ChEBI ID	CHEBI:86154

Definition	A 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.

Stars	This entity has been manually annotated by the ChEBI Team.

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Formula

C21H16Br2O5S

Net Charge

Average Mass

540.22200

Monoisotopic Mass

537.90852

InChI

InChI=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

InChIKey

ABIUHPWEYMSGSR-UHFFFAOYSA-N

SMILES

Cc1cc(cc(Br)c1O)C1(OS(=O)(=O)c2ccccc12)c1cc(C)c(O)c(Br)c1

Roles Classification
Application(s):	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. dye two-colour indicator A colour indicator that possesses a different colour on each side of the transition interval.

ChEBI Ontology
Outgoing	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	Sources
5',5"-dibromo-o-cresolsulfophthalein	ChEBI
HSDB 7729	ChemIDplus

Last Modified

24 June 2015