CAS 1075281-20-7

Benzoic acid, 5-bromo-4-(hydroxymethyl)-2-methoxy-, methyl ester

Description:

Benzoic acid, 5-bromo-4-(hydroxymethyl)-2-methoxy-, methyl ester, identified by the CAS number 1075281-20-7, is an organic compound characterized by its complex structure that includes a benzoic acid moiety with additional functional groups. This compound features a bromine atom at the 5-position and a hydroxymethyl group at the 4-position of the benzene ring, along with a methoxy group at the 2-position. The presence of the methyl ester functional group indicates that it is an ester derivative of benzoic acid, which can influence its solubility and reactivity. Generally, compounds of this nature may exhibit moderate polarity due to the combination of hydrophobic aromatic and hydrophilic functional groups. They may also possess biological activity, making them of interest in pharmaceutical and agrochemical research. The specific properties, such as melting point, boiling point, and solubility, would depend on the molecular interactions and the overall structure, which can be further explored through experimental characterization.

Formula: C₁₀H₁₁BrO₄

InChI: InChI=1S/C10H11BrO4/c1-14-9-3-6(5-12)8(11)4-7(9)10(13)15-2/h3-4,12H,5H2,1-2H3

InChI key: InChIKey=KYDIWTKFXJNQJA-UHFFFAOYSA-N

SMILES: C(OC)(=O)C1=C(OC)C=C(CO)C(Br)=C1

Synonyms:

• Benzoic acid, 5-bromo-4-(hydroxymethyl)-2-methoxy-, methyl ester
• Methyl 5-Bromo-4-hydroxymethyl-2-methoxybenzoate