CAS 1171919-37-1

2,4,6-Trichlorophenyl 4-fluorobenzenesulfonate

Description:

2,4,6-Trichlorophenyl 4-fluorobenzenesulfonate is an organic compound characterized by its complex structure, which includes a phenyl ring substituted with multiple halogen atoms and a sulfonate group. This compound features three chlorine atoms positioned at the 2, 4, and 6 positions of the phenyl ring, contributing to its reactivity and potential biological activity. The presence of a fluorine atom at the para position of the sulfonate group enhances its chemical stability and may influence its interaction with biological systems. As a sulfonate ester, it is likely to exhibit properties typical of sulfonates, such as solubility in polar solvents and potential use in various chemical reactions, including nucleophilic substitutions. The compound may also be of interest in the field of medicinal chemistry or materials science due to its unique electronic properties and potential applications in synthesis. However, specific safety and handling guidelines should be followed, as halogenated compounds can pose environmental and health risks.

Formula: C₁₂H₆Cl₃FO₃S

InChI: InChI=1S/C12H6Cl3FO3S/c13-7-5-10(14)12(11(15)6-7)19-20(17,18)9-3-1-8(16)2-4-9/h1-6H

InChI key: InChIKey=KCXQJFBOZVITBG-UHFFFAOYSA-N

SMILES: O(S(=O)(=O)C1=CC=C(F)C=C1)C2=C(Cl)C=C(Cl)C=C2Cl

Synonyms:

• 2,4,6-Trichlorophenyl 4-fluorobenzenesulfonate
• Benzenesulfonic acid, 4-fluoro-, 2,4,6-trichlorophenyl ester