CAS 70793-11-2

4-[(Phenylmethyl)sulfonyl]benzoic acid

Description:

4-[(Phenylmethyl)sulfonyl]benzoic acid, with the CAS number 70793-11-2, is an organic compound characterized by its sulfonyl group attached to a benzoic acid structure. This compound features a phenylmethyl group, which contributes to its overall hydrophobic character. It typically appears as a white to off-white solid and is soluble in organic solvents, while exhibiting limited solubility in water due to its hydrophobic characteristics. The presence of the sulfonyl group enhances its reactivity, making it useful in various chemical reactions, including nucleophilic substitutions and coupling reactions. This compound may also exhibit biological activity, potentially serving as a pharmaceutical intermediate or a building block in organic synthesis. Its melting point, boiling point, and specific reactivity can vary based on purity and environmental conditions. As with many sulfonyl-containing compounds, it may have applications in medicinal chemistry, particularly in the development of drugs targeting specific biological pathways. Proper handling and safety measures should be observed due to potential toxicity and reactivity.

Formula: C₁₄H₁₂O₄S

InChI: InChI=1S/C14H12O4S/c15-14(16)12-6-8-13(9-7-12)19(17,18)10-11-4-2-1-3-5-11/h1-9H,10H2,(H,15,16)

InChI key: InChIKey=PCISPSYBKMGNFW-UHFFFAOYSA-N

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

Synonyms:

• 4-[(Phenylmethyl)sulfonyl]benzoic acid
• Benzoic acid, 4-[(phenylmethyl)sulfonyl]-
• 4-(Benzylsulfonyl)benzoic acid

4-Phenylmethanesulfonylbenzoic acid

CAS: 70793-11-2

Versatile small molecule scaffold

Formula: C₁₄H₁₂O₄S

Purity: Min. 95%

Molecular weight: 276.31 g/mol

Ref: 3D-VCA79311