CAS 124397-38-2

Methyl 4-(fluorosulfonyl)benzoate

Description:

Methyl 4-(fluorosulfonyl)benzoate is an organic compound characterized by the presence of a benzoate moiety substituted with a fluorosulfonyl group. This compound features a methyl ester functional group, which contributes to its reactivity and solubility properties. The fluorosulfonyl group is known for its strong electrophilic character, making the compound useful in various chemical reactions, particularly in the synthesis of more complex molecules. Methyl 4-(fluorosulfonyl)benzoate is typically a colorless to pale yellow liquid or solid, depending on its purity and specific conditions. It is soluble in polar organic solvents, which facilitates its use in organic synthesis. Due to the presence of both the ester and sulfonyl functionalities, this compound may exhibit unique chemical behavior, including potential applications in pharmaceuticals, agrochemicals, and materials science. However, handling precautions are necessary, as the fluorosulfonyl group can impart toxicity and reactivity. Always refer to safety data sheets and conduct proper risk assessments when working with such compounds.

Formula: C₈H₇FO₄S

InChI: InChI=1S/C8H7FO4S/c1-13-8(10)6-2-4-7(5-3-6)14(9,11)12/h2-5H,1H3

InChI key: InChIKey=ZHXUKAUTLJXSJX-UHFFFAOYSA-N

SMILES: S(F)(=O)(=O)C1=CC=C(C(OC)=O)C=C1

Synonyms:

• Methyl p-(fluorosulfonyl)benzoate
• Benzoic acid, 4-(fluorosulfonyl)-, methyl ester
• Methyl 4-(fluorosulfonyl)benzoate