CAS 94134-07-3

1-Methyl 2-methoxy-5-sulfobenzoate

Description:

1-Methyl 2-methoxy-5-sulfobenzoate, with the CAS number 94134-07-3, is an organic compound that belongs to the class of benzoate esters. It features a benzoic acid derivative structure, characterized by the presence of a methyl group and a methoxy group on the aromatic ring, as well as a sulfonate group, which contributes to its solubility in water and enhances its reactivity. This compound is typically used in various chemical applications, including as an intermediate in organic synthesis and potentially in the development of pharmaceuticals or agrochemicals. Its sulfonate group imparts significant polar characteristics, making it more soluble in polar solvents compared to non-polar compounds. The presence of functional groups such as the methoxy and sulfonate groups can also influence its biological activity and interaction with other molecules. Safety data sheets should be consulted for handling and storage guidelines, as with any chemical substance, to ensure safe usage in laboratory or industrial settings.

Formula: C₉H₁₀O₆S

InChI: InChI=1S/C9H10O6S/c1-14-8-4-3-6(16(11,12)13)5-7(8)9(10)15-2/h3-5H,1-2H3,(H,11,12,13)

InChI key: InChIKey=OTNVYRVUMVCGJU-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(OC)C=CC(S(=O)(=O)O)=C1

Synonyms:

• 1-Methyl 2-methoxy-5-sulfobenzoate
• Benzoic acid, 2-methoxy-5-sulfo-, 1-methyl ester