CAS 1226-48-8

2-Nitrophenyl 4-methylbenzenesulfonate

Description:

2-Nitrophenyl 4-methylbenzenesulfonate, with the CAS number 1226-48-8, is an organic compound characterized by its sulfonate functional group attached to a phenyl ring. This compound features a nitro group at the 2-position of the phenyl ring and a methyl group at the 4-position of the benzenesulfonate moiety. It is typically a yellow to orange crystalline solid, indicating the presence of the nitro group, which can impart distinct color properties. The sulfonate group enhances its solubility in polar solvents, making it useful in various chemical reactions, particularly in nucleophilic substitution processes. This compound is often employed as a reagent in organic synthesis and can serve as an electrophile due to the electron-withdrawing nature of the nitro group. Additionally, it may exhibit biological activity, which can be relevant in medicinal chemistry. Proper handling and storage are essential, as with many nitro compounds, due to potential hazards associated with their reactivity and toxicity.

Formula: C₁₃H₁₁NO₅S

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

InChI key: InChIKey=QTBPIGIEYBYSPR-UHFFFAOYSA-N

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

Synonyms:

• 2-Nitrophenyl 4-methylbenzenesulfonate
• Benzenesulfonic acid, 4-methyl-, 2-nitrophenyl ester
• p-Toluenesulfonic acid, o-nitrophenyl ester
• o-Nitrophenyl p-toluenesulfonate
• o-Nitrophenyl tosylate