Description

4,5-Difluoro-2-hydroxybenzoic acid (CAS No. 205533-31-9) is a high-purity fluorinated benzoic acid derivative with the molecular formula C₇H₄F₂O₃. This compound features a benzoic acid backbone substituted with two fluorine atoms at the 4 and 5 positions and a hydroxyl group at the 2 position, offering unique electronic and steric properties for advanced chemical synthesis. With a molecular weight of 174.10 g/mol, it is a versatile building block in pharmaceutical, agrochemical, and material science research. Its high reactivity and stability make it ideal for derivatization, coupling reactions, and as a precursor for fluorinated heterocycles. Available in >98% purity (HPLC), it is supplied as a white to off-white crystalline powder, packaged under inert conditions to ensure long-term stability. Suitable for use in organic synthesis, medicinal chemistry, and as a ligand or catalyst modifier.

Properties

• CAS Number: 205533-31-9
• Complexity: 185
• IUPAC Name: 4,5-difluoro-2-hydroxy-benzoic acid
• InChI: InChI=1S/C7H4F2O3/c8-4-1-3(7(11)12)6(10)2-5(4)9/h1-2,10H,(H,11,12)
• InChI Key: LQPQOESULBOBBB-UHFFFAOYSA-N
• Exact Mass: 174.01285031
• Molecular Formula: C7H4F2O3
• Molecular Weight: 174.10
• SMILES: C1=C(C(=CC(=C1F)F)O)C(=O)O
• Topological: 57.5
• Monoisotopic Mass: 174.01285031
• Synonyms: 4,5-difluoro-2-hydroxybenzoic acid, 205533-31-9, Benzoic acid, 4,5-difluoro-2-hydroxy-, 4,5-Difluoro-2-hydroxy-benzoic acid, MFCD13185554, 4,5-difluorosalicylic acid, SCHEMBL2551682, CHEMBL3792492, LQPQOESULBOBBB-UHFFFAOYSA-N, 4,5-difluoro-2-hydroxybenzoicacid, DTXSID001297593, FIA53331, AKOS023624096, DS-10546, SY344828, CS-0138267, C73895, EN300-1238058, Z1255417211

Application

4,5-Difluoro-2-hydroxybenzoic acid is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its electron-withdrawing fluorine atoms enhance the bioavailability and metabolic stability of drug candidates. Researchers utilize it to develop protease inhibitors, kinase inhibitors, and other bioactive molecules. In material science, it serves as a monomer for fluorinated polymers with improved thermal and chemical resistance. Additionally, it is employed in coordination chemistry to create metal-organic frameworks (MOFs) with tailored properties.

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