CAS 1171919-33-7

2,4,6-Trichlorophenyl benzenemethanesulfonate

Description:

2,4,6-Trichlorophenyl benzenemethanesulfonate, identified by its CAS number 1171919-33-7, is a synthetic organic compound characterized by its complex structure, which includes a trichlorophenyl group and a benzenemethanesulfonate moiety. This compound is typically a solid at room temperature and is known for its potential applications in various chemical processes, including as an intermediate in organic synthesis. Its chlorinated phenyl group contributes to its reactivity and may influence its biological activity, making it of interest in fields such as agrochemicals and pharmaceuticals. The presence of the sulfonate group enhances its solubility in polar solvents, which can be advantageous in certain applications. However, due to the chlorine substituents, it may also exhibit environmental persistence and toxicity, necessitating careful handling and assessment of its ecological impact. Overall, 2,4,6-Trichlorophenyl benzenemethanesulfonate is a compound of interest in both industrial and research settings, warranting further investigation into its properties and potential uses.

Formula: C₁₃H₉Cl₃O₃S

InChI: InChI=1S/C13H9Cl3O3S/c14-10-6-11(15)13(12(16)7-10)19-20(17,18)8-9-4-2-1-3-5-9/h1-7H,8H2

InChI key: InChIKey=BLOMCQQCBMOQLR-UHFFFAOYSA-N

SMILES: O(S(CC1=CC=CC=C1)(=O)=O)C2=C(Cl)C=C(Cl)C=C2Cl

Synonyms:

• 2,4,6-Trichlorophenyl benzenemethanesulfonate
• Benzenemethanesulfonic acid, 2,4,6-trichlorophenyl ester