CAS 1171919-24-6

2,4,6-Trichlorophenyl 3-(trifluoromethyl)benzenesulfonate

Description:

2,4,6-Trichlorophenyl 3-(trifluoromethyl)benzenesulfonate is a synthetic organic compound characterized by its complex structure, which includes a phenyl ring substituted with multiple halogen atoms and a sulfonate group. The presence of three chlorine atoms on the phenyl ring contributes to its stability and potential reactivity, while the trifluoromethyl group enhances its lipophilicity and may influence its biological activity. This compound is typically used in chemical synthesis and may serve as an intermediate in the production of various pharmaceuticals or agrochemicals. Its sulfonate group can impart solubility in polar solvents, making it versatile in different chemical environments. However, due to the presence of halogens, it may also exhibit environmental persistence and potential toxicity, necessitating careful handling and disposal. As with many chlorinated and fluorinated compounds, it is essential to consider its environmental impact and regulatory status in various jurisdictions. Overall, 2,4,6-Trichlorophenyl 3-(trifluoromethyl)benzenesulfonate is notable for its unique chemical properties and potential applications in advanced materials and chemical research.

Formula: C₁₃H₆Cl₃F₃O₃S

InChI: InChI=1S/C13H6Cl3F3O3S/c14-8-5-10(15)12(11(16)6-8)22-23(20,21)9-3-1-2-7(4-9)13(17,18)19/h1-6H

InChI key: InChIKey=QQSCBHIFJGHKLD-UHFFFAOYSA-N

SMILES: S(OC1=C(Cl)C=C(Cl)C=C1Cl)(=O)(=O)C2=CC(C(F)(F)F)=CC=C2

Synonyms:

• Benzenesulfonic acid, 3-(trifluoromethyl)-, 2,4,6-trichlorophenyl ester
• 2,4,6-Trichlorophenyl 3-(trifluoromethyl)benzenesulfonate