Description

Sodium 3,4-Difluorobenzoate (CAS No. 522651-44-1) is a high-purity organic salt with the molecular formula C₇H₃F₂NaO₂. This compound, also known as sodium;3,4-difluorobenzoate, is a white to off-white crystalline powder with exceptional stability and solubility in polar solvents. It is synthesized under stringent quality control to ensure >98% purity, as verified by HPLC and NMR analysis. Ideal for pharmaceutical intermediates, agrochemical research, and material science applications, this reagent is packaged under inert conditions to prevent moisture absorption and degradation. Available in quantities from grams to kilograms, it is supplied with a comprehensive Certificate of Analysis (CoA) detailing batch-specific purity, residual solvents, and heavy metal content.

Properties

• CAS Number: 522651-44-1
• Complexity: 165
• IUPAC Name: sodium;3,4-difluorobenzoate
• InChI: InChI=1S/C7H4F2O2.Na/c8-5-2-1-4(7(10)11)3-6(5)9;/h1-3H,(H,10,11);/q;+1/p-1
• InChI Key: ABEWMCSPOKFJCI-UHFFFAOYSA-M
• Exact Mass: 179.99987994
• Molecular Formula: C7H3F2NaO2
• Molecular Weight: 180.08
• SMILES: C1=CC(=C(C=C1C(=O)[O-])F)F.[Na+]
• Topological: 40.1
• Monoisotopic Mass: 179.99987994
• Synonyms: 522651-44-1, Benzoic acid, 3,4-difluoro-, sodium salt (1:1), 610-816-4, Sodium 3,4-difluorobenzoate, sodium;3,4-difluorobenzoate, sodium,3,4-difluorobenzoate, SODIUM3,4-DIFLUOROBENZOATE, DTXSID80635718, ABEWMCSPOKFJCI-UHFFFAOYSA-M, MFCD03094397, SBB089609, 3,4-difluorobenzoic acid, sodium salt, AKOS015995319

Application

Sodium 3,4-Difluorobenzoate serves as a key building block in the synthesis of fluorinated aromatic compounds, particularly in pharmaceutical development for active pharmaceutical ingredients (APIs). It is utilized in cross-coupling reactions to introduce difluorobenzoate moieties into complex molecules. Researchers also employ it as a precursor for liquid crystal materials and specialty polymers requiring fluorine-substituted aromatic rings. Its stability under acidic conditions makes it suitable for catalysis studies and fine chemical manufacturing.

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