Bromocresol purple

2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methylphenol

CAS: 115-40-2

Molecular Formula	`C21H16Br2O5S`
Molecular Weight	540.2 g/mol
LogP	5.1
Topological Polar Surface Area	92.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	539.9065
Heavy Atoms	29
Complexity	680.0

Chemical Identifiers

CAS Number	115-40-2
SMILES	`CC1=CC(=CC(=C1O)Br)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)Br`
InChIKey	`ABIUHPWEYMSGSR-UHFFFAOYSA-N`

📖 Product Overview

Bromocresol purple (CAS: 115-40-2) is a chemical compound with molecular formula C21H16Br2O5S and molecular weight 540.2 g/mol. Its IUPAC systematic name is 2-bromo-4-[3-(3-bromo-4-hydroxy-5-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-6-methylphenol. LogP 5.1 Topological Polar Surface Area 92.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 539.9065 Heavy Atoms 29 Complexity 680.0 InChI Key: ABIUHPWEYMSGSR-UHFFFAOYSA-N. SMILES: CC1=CC(=CC(=C1O)Br)C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4)C)O)Br.

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Safety Data Sheet (MSDS / SDS) View the Laboratory Chemical Safety Summary (LCSS) on PubChem — includes GHS classifications, hazard statements, first aid measures, and handling precautions.

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