CAS 126764-53-2

2-(Chloromethyl)-5,7-difluorobenzothiazole

Description:

2-(Chloromethyl)-5,7-difluorobenzothiazole is a chemical compound characterized by its unique structure, which includes a benzothiazole ring substituted with both chlorine and fluorine atoms. The presence of the chloromethyl group indicates that it has a reactive site, making it useful in various chemical reactions, particularly in the synthesis of more complex organic molecules. The difluorobenzothiazole moiety contributes to its potential applications in pharmaceuticals and agrochemicals due to the influence of fluorine on the compound's biological activity and lipophilicity. This compound is typically a solid at room temperature and may exhibit moderate to high stability under standard conditions. Its reactivity can be attributed to the electrophilic nature of the chloromethyl group, which can participate in nucleophilic substitution reactions. Additionally, the fluorine atoms can enhance the compound's metabolic stability and alter its interaction with biological targets. Safety data should be consulted for handling, as halogenated compounds can pose health and environmental risks.

Formula: C₈H₄ClF₂NS

InChI: InChI=1S/C8H4ClF2NS/c9-3-7-12-6-2-4(10)1-5(11)8(6)13-7/h1-2H,3H2

InChI key: InChIKey=LLEKVIHIOONSPJ-UHFFFAOYSA-N

SMILES: FC1=C2C(N=C(CCl)S2)=CC(F)=C1

Synonyms:

• 2-(Chloromethyl)-5,7-difluorobenzo[d]thiazole
• 2-(Chloromethyl)-5,7-difluorobenzothiazole
• 2-Bromo-4,6-difluoro-benzothiazole
• Benzothiazole, 2-(chloromethyl)-5,7-difluoro-