CAS 898747-61-0

5,7-Difluoro-2(3H)-benzothiazolone

Description:

5,7-Difluoro-2(3H)-benzothiazolone is a heterocyclic compound characterized by the presence of a benzothiazole ring, which incorporates both sulfur and nitrogen atoms. The molecule features two fluorine substituents at the 5 and 7 positions of the benzothiazole structure, which can significantly influence its chemical properties, including reactivity and polarity. This compound is typically used in various applications, including as a building block in organic synthesis and potentially in pharmaceuticals or agrochemicals due to its unique electronic properties. The presence of fluorine atoms often enhances the stability and lipophilicity of the compound, making it suitable for specific chemical reactions or interactions. Additionally, the benzothiazolone moiety can exhibit biological activity, which may be of interest in medicinal chemistry. As with many fluorinated compounds, safety and handling precautions should be observed due to potential toxicity and environmental impact. Overall, 5,7-Difluoro-2(3H)-benzothiazolone represents a versatile compound in the field of organic chemistry.

Formula: C₇H₃F₂NOS

InChI: InChI=1S/C7H3F2NOS/c8-3-1-4(9)6-5(2-3)10-7(11)12-6/h1-2H,(H,10,11)

InChI key: InChIKey=IDKYBFIFIQDUBD-UHFFFAOYSA-N

SMILES: FC1=C2C(NC(=O)S2)=CC(F)=C1

Synonyms:

• 2(3H)-Benzothiazolone, 5,7-difluoro-
• 5,7-Difluoro-2(3H)-benzothiazolone