CAS 110704-22-8

2-(Chloromethyl)-4,5-difluorobenzothiazole

Description:

2-(Chloromethyl)-4,5-difluorobenzothiazole is a chemical compound characterized by its unique structure, which includes a benzothiazole ring substituted with both chloromethyl and difluoromethyl groups. The presence of the chloromethyl group enhances its reactivity, making it a useful intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals. The difluoromethyl groups contribute to its electronic properties, potentially influencing its biological activity and solubility. 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 affect the compound's lipophilicity and metabolic stability. Safety data indicates that, like many halogenated compounds, it should be handled with care due to potential toxicity and environmental concerns. Overall, 2-(Chloromethyl)-4,5-difluorobenzothiazole is a valuable compound in synthetic chemistry with applications in various fields.

Formula: C₈H₄ClF₂NS

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

InChI key: InChIKey=SDWAGGZVXUGGBW-UHFFFAOYSA-N

SMILES: FC1=C2C(SC(CCl)=N2)=CC=C1F

Synonyms:

• Benzothiazole, 2-(chloromethyl)-4,5-difluoro-
• 2-(Chloromethyl)-4,5-difluorobenzothiazole
• 2-(Chloromethyl)-4,5-difluorobenzo[d]thiazole
• 2-(Chloromethyl)-4,5-difluoro-1,3-benzothiazole