CAS 1123169-26-5

Methyl 5-bromo-1,2-benzisothiazole-3-carboxylate

Description:

Methyl 5-bromo-1,2-benzisothiazole-3-carboxylate is a chemical compound characterized by its unique structure, which includes a benzisothiazole moiety and a carboxylate functional group. This compound typically appears as a solid or crystalline substance and is known for its potential applications in pharmaceuticals and agrochemicals due to its biological activity. The presence of the bromine atom enhances its reactivity and may influence its interaction with biological targets. Methyl 5-bromo-1,2-benzisothiazole-3-carboxylate is soluble in organic solvents, which makes it suitable for various synthetic processes. Its molecular structure contributes to its properties, such as stability under standard conditions, but it may be sensitive to light or moisture. As with many halogenated compounds, safety precautions should be taken when handling this substance, as it may pose environmental and health risks. Overall, this compound is of interest in research and development within the fields of medicinal chemistry and material science.

Formula: C₉H₆BrNO₂S

InChI: InChI=1S/C9H6BrNO2S/c1-13-9(12)8-6-4-5(10)2-3-7(6)14-11-8/h2-4H,1H3

InChI key: InChIKey=OBBHRFRSQRYCBQ-UHFFFAOYSA-N

SMILES: C(OC)(=O)C=1C=2C(SN1)=CC=C(Br)C2

Synonyms:

• Methyl 5-bromo-1,2-benzisothiazole-3-carboxylate
• 1,2-Benzisothiazole-3-carboxylic acid, 5-bromo-, methyl ester