CAS 99849-18-0

5-(Chloromethyl)-2-methylbenzothiazole

Description:

5-(Chloromethyl)-2-methylbenzothiazole is an organic compound characterized by its benzothiazole structure, which consists of a benzene ring fused to a thiazole ring. This compound features a chloromethyl group (-CH2Cl) at the 5-position and a methyl group (-CH3) at the 2-position of the benzothiazole moiety. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, while being less soluble in water due to its hydrophobic nature. The presence of the chloromethyl group makes it a potential electrophile, which can participate in nucleophilic substitution reactions, making it useful in various synthetic applications. Additionally, benzothiazole derivatives are known for their biological activity, and this compound may exhibit antimicrobial or antifungal properties, although specific biological data would need to be referenced for detailed activity. Safety data should be consulted, as halogenated compounds can pose health risks, including toxicity and environmental concerns. Proper handling and disposal according to safety guidelines are essential when working with this substance.

Formula: C₉H₈ClNS

InChI: InChI=1S/C9H8ClNS/c1-6-11-8-4-7(5-10)2-3-9(8)12-6/h2-4H,5H2,1H3

InChI key: InChIKey=QZFLAUOKNXRSMY-UHFFFAOYSA-N

SMILES: CC=1SC=2C(=CC(CCl)=CC2)N1

Synonyms:

• Benzothiazole, 5-(chloromethyl)-2-methyl-
• 5-(Chloromethyl)-2-methylbenzothiazole