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4-Fluoro-1,3-benzothiazole-2-carboxylic acid(CAS: 479028-70-1)

4-Fluoro-1,3-benzothiazole-2-carboxylic acid
CAS Number

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Basic Information

Molecular Formula
C8H4FNO2S
Molecular Weight
197.19 g/mol

Physical Properties

Boiling Point
382.5°C at 760 mmHg

Chemical Identifiers

SMILES
C1=CC(=C2C(=C1)SC(=N2)C(=O)O)F
InChIKey
KFFJBGWTRIOOEN-UHFFFAOYSA-N

Database References

MDL Number
MFCD11217267

FAQ

4-Fluoro-1,3-benzothiazole-2-carboxylic acid is a crystalline solid with a molecular weight of approximately 221.15 g/mol. Its solubility in water is low (less than 1 g/L at 25°C). This compound is moderately reactive, particularly with bases and reducing agents. It exhibits a pKa of about 6.2, indicating some acidity.
4-Fluoro-1,3-benzothiazole-2-carboxylic acid is usually synthesized via the acylation of 4-fluorobenzothiazole with a carboxylic acid chloride or anhydride. Common catalysts include triethylamine or pyridine, and the reaction typically yields 80-90% purity. The product is isolated by recrystallization from a suitable solvent.
4-Fluoro-1,3-benzothiazole-2-carboxylic acid finds applications in various industries. It is used in pharmaceuticals for the synthesis of drug intermediates, in polymers for enhancing material properties, and in chemical sensors for detecting specific analytes. Additionally, it is utilized in the preparation of semiconductors due to its unique physical and chemical properties.
When handling 4-Fluoro-1,3-benzothiazole-2-carboxylic acid, appropriate personal protective equipment (PPE) should be worn, including gloves, safety goggles, and a lab coat. It should be stored in a cool, dry place away from moisture and oxidizing agents. In the event of a spill, it should be handled using appropriate spill cleanup procedures, and the area should be well-ventilated. Always consult the Safety Data Sheet (SDS) for detailed guidelines on handling and storage.

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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