Bromocresol green

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

CAS: 76-60-8

Molecular Formula	`C21H14Br4O5S`
Molecular Weight	698.0 g/mol
LogP	6.5
Topological Polar Surface Area	92.2 A2
Hydrogen Bond Donors	2
Hydrogen Bond Acceptors	5
Rotatable Bonds	2
Exact Mass	697.72546
Heavy Atoms	31
Complexity	742.0

Chemical Identifiers

CAS Number	76-60-8
SMILES	`CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)O)Br`
InChIKey	`FRPHFZCDPYBUAU-UHFFFAOYSA-N`

📖 Product Overview

Bromocresol green (CAS: 76-60-8) is a chemical compound with molecular formula C21H14Br4O5S and molecular weight 698.0 g/mol. Its IUPAC systematic name is 2,6-dibromo-4-[3-(3,5-dibromo-4-hydroxy-2-methylphenyl)-1,1-dioxo-2,1lambda6-benzoxathiol-3-yl]-3-methylphenol. LogP 6.5 Topological Polar Surface Area 92.2 A2 Hydrogen Bond Donors 2 Hydrogen Bond Acceptors 5 Rotatable Bonds 2 Exact Mass 697.72546 Heavy Atoms 31 Complexity 742.0 InChI Key: FRPHFZCDPYBUAU-UHFFFAOYSA-N. SMILES: CC1=C(C(=C(C=C1C2(C3=CC=CC=C3S(=O)(=O)O2)C4=CC(=C(C(=C4C)Br)O)Br)Br)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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