Description

Benzoic Acid, 2,4-Difluoro-, Sodium Salt (CAS No. 1765-08-8) is a high-purity organic compound with the molecular formula C₇H₃F₂NaO₂. This sodium salt derivative of 2,4-difluorobenzoic acid is widely utilized in pharmaceutical and agrochemical research due to its role as a versatile intermediate in synthetic chemistry. The product is characterized by its white to off-white crystalline powder form, excellent solubility in polar solvents, and high stability under standard laboratory conditions. Ideal for researchers and scientists, it is supplied with comprehensive analytical data including HPLC purity, NMR, and MS spectra to ensure consistency and reliability for critical applications.

Properties

• CAS Number: 1765-08-8
• Complexity: 165
• IUPAC Name: sodium;2,4-difluorobenzoate
• InChI: InChI=1S/C7H4F2O2.Na/c8-4-1-2-5(7(10)11)6(9)3-4;/h1-3H,(H,10,11);/q;+1/p-1
• InChI Key: ZNMYMPIKSTUKOB-UHFFFAOYSA-M
• Exact Mass: 179.99987994
• Molecular Formula: C7H3F2NaO2
• Molecular Weight: 180.08
• SMILES: C1=CC(=C(C=C1F)F)C(=O)[O-].[Na+]
• Topological: 40.1
• Monoisotopic Mass: 179.99987994
• Synonyms: Benzoic acid, 2,4-difluoro-, sodium salt, DTXSID90170145, DTXCID3092636, Sodium 2,4-difluorobenzoate, 1765-08-8, sodium;2,4-difluorobenzoate, Benzoic acid, 2,4-difluoro-, sodium salt (1:1), MFCD01661151, SODIUM2,4-DIFLUOROBENZOATE, ZNMYMPIKSTUKOB-UHFFFAOYSA-M, CK1074, SBB089607, 2,4-difluorobenzoic acid, sodium salt, AKOS015995318, SY250605, DB-231808, CS-0333827

This compound is primarily employed as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs) and specialty chemicals. Its difluorinated aromatic structure makes it valuable for designing fluorinated analogs in drug discovery programs. Additionally, it serves as a precursor in the development of agrochemicals and materials science applications. Researchers also utilize it in ligand synthesis and as a building block for advanced organic frameworks.

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