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1,2-Benzisothiazole-3-carboxylic acid(CAS: 40991-34-2)

1,2-Benzisothiazole-3-carboxylic acid
CAS Number

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Basic Information

Molecular Formula
C8H5NO2S
Molecular Weight
179.2 g/mol

Physical Properties

Boiling Point
279.7℃at760mmHg

Chemical Identifiers

SMILES
C1=CC=C2C(=C1)C(=NS2)C(=O)O
InChIKey
KTORKRBAIRTBCP-UHFFFAOYSA-N

Database References

MDL Number
MFCD01658903

FAQ

1,2-Benzisothiazole-3-carboxylic acid is a crystalline solid with a molecular weight of approximately 201.23 g/mol. It has limited water solubility, with a solubility of about 2.5 g/L at 25°C. The compound is known for its reactivity, particularly in nucleophilic substitution reactions. It can form complexes with various metal ions and is used in analytical chemistry for its reactivity and selectivity.
1,2-Benzisothiazole-3-carboxylic acid is synthesized via the reaction of benzyl isothiocyanate with 1,2-benzenediol. This process typically requires a catalyst to enhance yield and selectivity. The reaction involves the substitution of the isothiocyanate group with a carboxylic acid group, resulting in a high-yield product with good purity.
1,2-Benzisothiazole-3-carboxylic acid is used in various industries due to its chemical reactivity. It is commonly employed in pharmaceuticals for the synthesis of drugs and intermediates, in polymers for stabilizing materials against degradation, and in sensors for detecting metal ions. Additionally, it is used in the semiconductor industry for its unique properties in chemical vapor deposition processes.
When handling 1,2-Benzisothiazole-3-carboxylic acid, it is crucial to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Ensure to work in a well-ventilated area, such as a fume hood, to avoid inhalation of the vapors. Spills should be cleaned up using appropriate absorbent materials, and the area should be thoroughly washed. Always refer to the Safety Data Sheet (SDS) for detailed safety guidelines and emergency procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

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