1,4-Phenylenediacetic acid

CAS: 7325-46-4

Ref. 3D-FP70302

Product Information

• Name: 1,4-Phenylenediacetic acid
• Synonyms: Benzene-1,4-diacetic acid
• Brand: Biosynth
• Description: 1,4-Phenylenediacetic acid is an organic compound that has been used as a fungicide. It is an aromatic carboxylic acid that binds to the receptor site of the fungal cell wall and inhibits its growth. The molecule has a special coordination geometry with the hydrogen atom in the carboxylate group positioned close to one of the phenyl rings. This causes intramolecular hydrogen bonding interactions between the carboxylate group and the phenolic hydroxyl groups on adjacent molecules, which stabilizes it. 1,4-Phenylenediacetic acid also exhibits strong hydrogen bonding interactions with other molecules such as malonic acid due to its diphenyl ether group.

Chemical properties

• Molecular weight: 194.18 g/mol
• Formula: C₁₀H₁₀O₄
• Purity: Min. 95%
• Color/Form: Powder
• InChI: InChI=1S/C10H10O4/c11-9(12)5-7-1-2-8(4-3-7)6-10(13)14/h1-4H,5-6H2,(H,11,12)(H,13,14)
• InChI key: InChIKey=SLWIPPZWFZGHEU-UHFFFAOYSA-N
• SMILES: O=C(O)Cc1ccc(CC(=O)O)cc1