Products 115-40-2

CAS 115-40-2 appears in our catalog under these names: Bromocresol Purple, 3,3–Bis(3–bromo–4–hydroxy–5–methylphenyl)–3H–benzo(c)(1,2)oxathiole 1,1–dioxide, Bromocresol Purple , Bromocresol Purple (0.04% in Water) [for pH Determination], Bromocresol Purple, pure, indicator grade. Offered by: TRC, GLPBio, Thermo Scientific (Alfa Aesar), Biosynth, TCI. Available pack sizes: 100g, 10g, 25g, 500g, 50g, 250g, 0,5kg, 1kg.

Structural formula: {0} (CAS {1})

Bromocresol purple is 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. It has a role as a dye, an acid-base indicator and a two-colour indicator. It is a polyphenol, an organobromine compound, a 2,1-benzoxathiole, a sultone and an arenesulfonate ester.

Source: ChEBI

Identity
Molecular formulaC21H16Br2O5S
Molecular weight540.2 g/mol
IUPAC name2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methylphenol
InChIKeyABIUHPWEYMSGSR-UHFFFAOYSA-N
SMILESCC1=CC(=CC(=C1O)Br)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)Br

Computed by PubChem (NCBI)