CAS 832739-35-2

4-[(4-Chloro-3,5-dimethylphenoxy)methyl]benzoic acid

Description:

4-[(4-Chloro-3,5-dimethylphenoxy)methyl]benzoic acid, with the CAS number 832739-35-2, is an organic compound characterized by its benzoic acid structure modified with a phenoxy group. This compound features a chloro substituent and two methyl groups on the aromatic ring, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents, while being less soluble in water due to its hydrophobic characteristics. The presence of the carboxylic acid functional group imparts acidic properties, allowing it to participate in various chemical reactions, such as esterification or salt formation. This compound may be of interest in pharmaceutical or agrochemical applications, potentially serving as an intermediate in the synthesis of more complex molecules. Its specific reactivity and stability can be influenced by the substituents on the aromatic rings, making it a subject of study in medicinal chemistry and material science. Safety data should be consulted for handling and usage, as with any chemical substance.

Formula: C₁₆H₁₅ClO₃

InChI: InChI=1S/C16H15ClO3/c1-10-7-14(8-11(2)15(10)17)20-9-12-3-5-13(6-4-12)16(18)19/h3-8H,9H2,1-2H3,(H,18,19)

InChI key: InChIKey=FUVODWDQICYHJB-UHFFFAOYSA-N

SMILES: O(CC1=CC=C(C(O)=O)C=C1)C2=CC(C)=C(Cl)C(C)=C2

Synonyms:

• Benzoic acid, 4-[(4-chloro-3,5-dimethylphenoxy)methyl]-
• 4-[(4-Chloro-3,5-dimethylphenoxy)methyl]benzoic acid
• ART-CHEM-BB B013436
• AKOS B013436
• 4-(4-CHLORO-3,5-DIMETHYL-PHENOXYMETHYL)-BENZOIC ACID