CAS 928665-24-1

1-Chloro-4-fluoro-5-isoquinolinesulfonyl chloride

Description:

1-Chloro-4-fluoro-5-isoquinolinesulfonyl chloride is a chemical compound characterized by its unique structure, which includes an isoquinoline moiety, a chloro group, and a fluoro group, along with a sulfonyl chloride functional group. This compound typically appears as a solid or crystalline substance and is known for its reactivity due to the presence of the sulfonyl chloride group, which can participate in nucleophilic substitution reactions. It is often utilized in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals, due to its ability to act as a sulfonylating agent. The presence of both chlorine and fluorine atoms in its structure can influence its chemical properties, such as solubility and stability, making it a valuable intermediate in various chemical reactions. Safety precautions are essential when handling this compound, as sulfonyl chlorides can be corrosive and may release toxic gases upon reaction with water or moisture.

Formula: C₉H₄Cl₂FNO₂S

InChI: InChI=1S/C9H4Cl2FNO2S/c10-9-5-2-1-3-7(16(11,14)15)8(5)6(12)4-13-9/h1-4H

InChI key: InChIKey=ZLOCREHVIKQMDP-UHFFFAOYSA-N

SMILES: S(Cl)(=O)(=O)C=1C2=C(C=CC1)C(Cl)=NC=C2F

Synonyms:

• 5-Isoquinolinesulfonyl chloride, 1-chloro-4-fluoro-
• 1-Chloro-4-fluoro-5-isoquinolinesulfonyl chloride