CAS 116096-92-5: 6-Bromo-7-hydroxy-2-oxo-2H-1-benzopyran-3-carboxylic acid

Description: 6-Bromo-7-hydroxy-2-oxo-2H-1-benzopyran-3-carboxylic acid, with the CAS number 116096-92-5, is a chemical compound that belongs to the class of flavonoids, specifically a type of coumarin derivative. This compound features a benzopyran structure, characterized by a fused benzene and pyran ring, which contributes to its aromatic properties. The presence of a bromine atom at the 6-position and a hydroxyl group at the 7-position enhances its reactivity and potential biological activity. The carboxylic acid functional group at the 3-position indicates that it can participate in acid-base reactions and may exhibit solubility in polar solvents. This compound is of interest in various fields, including medicinal chemistry, due to its potential pharmacological properties, such as antioxidant and anti-inflammatory effects. Its unique structural features may also allow for further derivatization, making it a valuable candidate for research in drug development and natural product synthesis.

Formula: C₁₀H₅BrO₅

InChI: InChI=1S/C10H5BrO5/c11-6-2-4-1-5(9(13)14)10(15)16-8(4)3-7(6)12/h1-3,12H,(H,13,14)

InChI key: InChIKey=LZARJDZEFFIBBM-UHFFFAOYSA-N

SMILES: O=C(O)C1=CC=2C=C(Br)C(O)=CC2OC1=O

Synonyms:

• 6-Bromo-7-hydroxy-2-oxo-2H-1-benzopyran-3-carboxylic acid
• 2H-1-Benzopyran-3-carboxylic acid, 6-bromo-7-hydroxy-2-oxo-

6-Bromo-7-hydroxy-2-oxo-2H-chromene-3-carboxylic acid

CAS: 116096-92-5

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• Formula: C₁₀H₅BrO₅
• Purity: Min. 95%
• Molecular weight: 285.05 g/mol