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Bromocresol Blue Sodium Salt

Catalog Number: EVT-334804

CAS Number: 62625-32-5

Molecular Formula: C21H13Br4NaO5S

Molecular Weight: 720 g/mol

The product is for non-human research only. Not for therapeutic or veterinary use.

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Product Introduction

Description

Bromocresol Blue Sodium Salt (BCB) is a pH indicator dye that is widely used in various fields, including medical, environmental, and industrial research. It is a water-soluble compound that changes color from yellow to blue depending on the pH of the solution. BCB is a derivative of cresol, which is a mixture of three isomers: ortho-cresol, meta-cresol, and para-cresol. BCB is commonly used in medical research to monitor pH changes in biological fluids, such as blood and urine. It is also used in environmental research to assess the pH of water bodies and soil. In industrial research, BCB is used as a quality control agent in the manufacturing of various products.

Properties

CAS Number

62625-32-5

Product Name

Bromocresol Blue Sodium Salt

IUPAC Name

sodium;2-[(E)-(3,5-dibromo-4-hydroxy-2-methylphenyl)-(3,5-dibromo-2-methyl-4-oxocyclohexa-2,5-dien-1-ylidene)methyl]benzenesulfonate

Molecular Formula

C21H13Br4NaO5S

Molecular Weight

720 g/mol

InChI

InChI=1S/C21H14Br4O5S.Na/c1-9-12(7-14(22)20(26)18(9)24)17(11-5-3-4-6-16(11)31(28,29)30)13-8-15(23)21(27)19(25)10(13)2;/h3-8,26H,1-2H3,(H,28,29,30);/q;+1/p-1/b17-13-;

InChI Key

PZBRPDUUWGYUTE-VSORCOHTSA-M

SMILES

CC1=C(C(=C(C=C1C(=C2C=C(C(=O)C(=C2C)Br)Br)C3=CC=CC=C3S(=O)(=O)[O-])Br)O)Br.[Na+]

Canonical SMILES

CC1=C(C(=C(C=C1C(=C2C=C(C(=O)C(=C2C)Br)Br)C3=CC=CC=C3S(=O)(=O)[O-])Br)O)Br.[Na+]

Isomeric SMILES

CC1=C(C(=C(C=C1/C(=C\2/C=C(C(=O)C(=C2C)Br)Br)/C3=CC=CC=C3S(=O)(=O)[O-])Br)O)Br.[Na+]

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