Description

Sodium 3,5-Difluorobenzoate (CAS No. 530141-39-0) is a high-purity organic salt with the molecular formula C₇H₃F₂NaO₂. This compound, also known as sodium;3,5-difluorobenzoate, is a white to off-white crystalline powder with excellent solubility in polar solvents such as water and methanol. It is synthesized under stringent quality control to ensure ≥98% purity (HPLC), making it ideal for pharmaceutical intermediates, agrochemical research, and material science applications. The presence of fluorine atoms enhances its reactivity, enabling its use in cross-coupling reactions and as a building block for fluorinated compounds. Packaged in moisture-resistant containers to ensure stability, this product is stored under controlled conditions to maintain its integrity.

Properties

• CAS Number: 530141-39-0
• Complexity: 155
• IUPAC Name: sodium;3,5-difluorobenzoate
• InChI: InChI=1S/C7H4F2O2.Na/c8-5-1-4(7(10)11)2-6(9)3-5;/h1-3H,(H,10,11);/q;+1/p-1
• InChI Key: FXZLBDIGNGMDOK-UHFFFAOYSA-M
• Exact Mass: 179.99987994
• Molecular Formula: C7H3F2NaO2
• Molecular Weight: 180.08
• SMILES: C1=C(C=C(C=C1F)F)C(=O)[O-].[Na+]
• Topological: 40.1
• Monoisotopic Mass: 179.99987994
• Synonyms: 530141-39-0, Benzoic acid, 3,5-difluoro-, sodium salt (1:1), 610-934-6, Sodium 3,5-difluorobenzoate, sodium;3,5-difluorobenzoate, MFCD03788553, SODIUM3,5-DIFLUOROBENZOATE, Sodium 3,5-difluorobenzoate;, SCHEMBL28774602, DTXSID40381401, FXZLBDIGNGMDOK-UHFFFAOYSA-M, CK1075, SBB089605, 3,5-difluorobenzoic acid, sodium salt, AKOS015995320, AS-59229, SY316751, CS-0187728

Application

Sodium 3,5-Difluorobenzoate is widely used as a key intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals. Its reactivity makes it valuable in Suzuki-Miyaura and other cross-coupling reactions to create complex aromatic systems. Researchers also employ it in the development of liquid crystals and specialty polymers due to its fluorine-enhanced properties.

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