CAS 1171919-51-9

2,4,6-Trichlorophenyl 1-propanesulfonate

Description:

2,4,6-Trichlorophenyl 1-propanesulfonate is an organic compound characterized by its chlorinated phenyl group and a sulfonate functional group. It features a phenolic structure with three chlorine atoms substituted at the 2, 4, and 6 positions, which significantly influences its chemical reactivity and stability. The presence of the propanesulfonate moiety enhances its solubility in polar solvents, making it useful in various chemical applications. This compound is typically used in synthetic organic chemistry, particularly in the development of pharmaceuticals and agrochemicals. Its chlorinated nature may impart biological activity, and thus it is essential to handle it with care due to potential toxicity and environmental concerns. Additionally, the compound's stability under various conditions makes it a candidate for further research in chemical synthesis and material science. As with many chlorinated compounds, it is important to consider its environmental impact and regulatory status when utilizing it in industrial or laboratory settings.

Formula: C₉H₉Cl₃O₃S

InChI: InChI=1S/C9H9Cl3O3S/c1-2-3-16(13,14)15-9-7(11)4-6(10)5-8(9)12/h4-5H,2-3H2,1H3

InChI key: InChIKey=XKXZHTAZHUFVDY-UHFFFAOYSA-N

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

Synonyms:

• 2,4,6-Trichlorophenyl 1-propanesulfonate
• 1-Propanesulfonic acid, 2,4,6-trichlorophenyl ester