CAS 1171919-49-5

2,4,6-Trichlorophenyl 1-butanesulfonate

Description:

2,4,6-Trichlorophenyl 1-butanesulfonate is an organic compound characterized by its chlorinated phenyl ring and sulfonate functional group. It features a phenyl ring substituted at the 2, 4, and 6 positions with chlorine atoms, which enhances its reactivity and hydrophobic properties. The butanesulfonate moiety contributes to its solubility in polar solvents, making it useful in various chemical applications. This compound is often studied for its potential environmental impact, particularly in relation to its persistence and bioaccumulation in aquatic systems. Its chlorinated structure may also impart significant biological activity, which can be of interest in pharmacological research. Safety data sheets typically indicate that it should be handled with care due to potential toxicity and environmental hazards. Overall, 2,4,6-Trichlorophenyl 1-butanesulfonate exemplifies the complexities of chlorinated organic compounds, balancing utility in chemical processes with considerations for environmental and health safety.

Formula: C₁₀H₁₁Cl₃O₃S

InChI: InChI=1S/C10H11Cl3O3S/c1-2-3-4-17(14,15)16-10-8(12)5-7(11)6-9(10)13/h5-6H,2-4H2,1H3

InChI key: InChIKey=NYRTYBNKNVRXED-UHFFFAOYSA-N

SMILES: O(S(CCCC)(=O)=O)C1=C(Cl)C=C(Cl)C=C1Cl

Synonyms:

• 1-Butanesulfonic acid, 2,4,6-trichlorophenyl ester
• 2,4,6-Trichlorophenyl 1-butanesulfonate