CAS 100059-51-6

4-(butylsulfonyl)benzoic acid

Description:

4-(Butylsulfonyl)benzoic acid, with the CAS number 100059-51-6, is an organic compound characterized by its benzoic acid structure substituted with a butylsulfonyl group at the para position. This compound typically appears as a solid at room temperature and is soluble in polar organic solvents due to the presence of the sulfonyl group, which enhances its polarity. The butylsulfonyl moiety contributes to its potential as a surfactant or emulsifying agent, while the carboxylic acid group can participate in hydrogen bonding, influencing its reactivity and interactions with other molecules. This compound may exhibit biological activity, making it of interest in pharmaceutical and chemical research. Its stability under various conditions, along with its functional groups, allows for potential applications in organic synthesis and material science. Safety data should be consulted for handling and storage, as with any chemical substance, to ensure proper precautions are taken.

Formula: C₁₁H₁₄O₄S

InChI: InChI=1/C11H14O4S/c1-2-3-8-16(14,15)10-6-4-9(5-7-10)11(12)13/h4-7H,2-3,8H2,1H3,(H,12,13)

SMILES: CCCCS(=O)(=O)c1ccc(cc1)C(=O)O

4-(Butane-1-sulfonyl)benzoic acid

CAS: 100059-51-6

Versatile small molecule scaffold

Formula: C₁₁H₁₄O₄S

Purity: Min. 95%

Molecular weight: 242.29 g/mol

Ref: 3D-AEA05951