CAS 1171919-29-1

2,4,6-Trichlorophenyl 2-cyanobenzenesulfonate

Description:

2,4,6-Trichlorophenyl 2-cyanobenzenesulfonate is a chemical compound characterized by its complex structure, which includes a trichlorophenyl group and a cyanobenzenesulfonate moiety. This compound typically appears as a solid and is known for its stability under standard conditions. It is often utilized in organic synthesis and may serve as an intermediate in the production of various pharmaceuticals or agrochemicals. The presence of chlorine atoms in the trichlorophenyl group enhances its reactivity, making it a useful reagent in electrophilic aromatic substitution reactions. Additionally, the sulfonate group contributes to its solubility in polar solvents, which can facilitate its application in various chemical processes. Safety data indicates that, like many chlorinated compounds, it may pose environmental and health risks, necessitating careful handling and disposal. Overall, 2,4,6-Trichlorophenyl 2-cyanobenzenesulfonate is a significant compound in synthetic organic chemistry, with properties that make it valuable for specific applications while requiring caution due to its potential hazards.

Formula: C₁₃H₆Cl₃NO₃S

InChI: InChI=1S/C13H6Cl3NO3S/c14-9-5-10(15)13(11(16)6-9)20-21(18,19)12-4-2-1-3-8(12)7-17/h1-6H

InChI key: InChIKey=XKBVDFYANWSZLM-UHFFFAOYSA-N

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

Synonyms:

• 2,4,6-Trichlorophenyl 2-cyanobenzenesulfonate
• Benzenesulfonic acid, 2-cyano-, 2,4,6-trichlorophenyl ester