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1,3-Benzothiazole-6-carbonitrile(CAS: 58249-61-9)

1,3-Benzothiazole-6-carbonitrile
CAS Number

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Basic Information

Molecular Formula
C8H4N2S
Molecular Weight
17.03 g/mol

Physical Properties

Melting Point
137-138℃

Chemical Identifiers

SMILES
N#Cc1ccc2ncsc2c1
InChIKey
WYRRTJKOMZONQO-UHFFFAOYSA-N

Database References

MDL Number
MFCD06659656

FAQ

1,3-Benzothiazole-6-carbonitrile (CAS: 58249-61-9) is a white or light yellow crystalline solid with a molecular weight of approximately 215.21 g/mol. It is slightly soluble in water but more soluble in organic solvents like ethanol and acetone. Chemically, it is stable under normal conditions but can react with strong acids or bases. It is used as a precursor in the synthesis of other compounds and has limited reactivity with common reagents.
1,3-Benzothiazole-6-carbonitrile (CAS: 58249-61-9) is typically synthesized through the reaction of aniline and carbon dioxide in the presence of a Lewis acid catalyst, such as aluminum chloride. The process involves the formation of a nitrile group on the benzothiazole ring. This synthesis method provides good yields and high selectivity, making it a common approach in the chemical industry.
1,3-Benzothiazole-6-carbonitrile (CAS: 58249-61-9) is primarily used in the pharmaceutical industry as an intermediate in the synthesis of drugs. It also finds applications in the polymer industry for the development of new materials and as a component in sensors and semiconductors. Its unique chemical properties make it valuable in these diverse fields.
When handling 1,3-Benzothiazole-6-carbonitrile (CAS: 58249-61-9), it is essential to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to minimize exposure. Spills should be cleaned up using appropriate materials, and proper disposal methods should be followed. In case of accidental exposure, seek medical attention immediately and refer to the Safety Data Sheet (SDS) for detailed instructions.

Safety Notice

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