CAS 1153-45-3

Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester

Description:

Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester, commonly referred to as a sulfonate ester, is an organic compound characterized by the presence of a benzenesulfonic acid moiety attached to a 4-methyl-4-nitrophenyl group. This compound typically exhibits properties associated with both sulfonic acids and aromatic nitro compounds, including high stability under normal conditions and potential reactivity due to the presence of the nitro group, which can influence electrophilic substitution reactions. It is generally soluble in organic solvents and may have limited solubility in water, depending on the specific conditions. The presence of the methyl and nitro substituents can affect its electronic properties, making it a useful intermediate in organic synthesis and potentially in the development of dyes or pharmaceuticals. Additionally, the compound may exhibit biological activity, which warrants careful handling and consideration of safety protocols during its use in laboratory settings. As with many sulfonic acid derivatives, it may also serve as a surfactant or catalyst in various chemical processes.

Formula: C₁₃H₁₁NO₅S

InChI: InChI=1S/C13H11NO5S/c1-10-2-8-13(9-3-10)20(17,18)19-12-6-4-11(5-7-12)14(15)16/h2-9H,1H3

InChI key: InChIKey=DOXAGUPGJPEQFP-UHFFFAOYSA-N

SMILES: S(OC1=CC=C(N(=O)=O)C=C1)(=O)(=O)C2=CC=C(C)C=C2

Synonyms:

• Phenol, p-nitro-, p-toluenesulfonate
• p-Nitrophenyl p-toluenesulfonate
• Benzenesulfonic acid, 4-methyl-, 4-nitrophenyl ester
• p-Toluenesulfonic acid, p-nitrophenyl ester
• p-Nitrophenyl tosylate