Description

Sodium 2,4,5-Trifluorobenzoate (CAS No. 522651-48-5) is a high-purity, organofluorine compound with the molecular formula C₇H₂F₃NaO₂. This sodium salt derivative of 2,4,5-trifluorobenzoic acid is widely utilized in pharmaceutical and agrochemical research due to its unique fluorinated aromatic structure. The compound exhibits excellent solubility in polar organic solvents, making it ideal for synthetic applications. Each batch is rigorously analyzed by HPLC, NMR, and mass spectrometry to ensure ≥98% purity, meeting the stringent requirements of advanced research. Available in convenient packaging options from milligrams to kilograms, this product is stored under inert conditions to guarantee stability and longevity.

Properties

• CAS Number: 522651-48-5
• Complexity: 191
• IUPAC Name: sodium;2,4,5-trifluorobenzoate
• InChI: InChI=1S/C7H3F3O2.Na/c8-4-2-6(10)5(9)1-3(4)7(11)12;/h1-2H,(H,11,12);/q;+1/p-1
• InChI Key: DFNAYAZQVIYLKO-UHFFFAOYSA-M
• Exact Mass: 197.99045807
• Molecular Formula: C7H2F3NaO2
• Molecular Weight: 198.07
• SMILES: C1=C(C(=CC(=C1F)F)F)C(=O)[O-].[Na+]
• Topological: 40.1
• Monoisotopic Mass: 197.99045807
• Synonyms: 522651-48-5, Benzoic acid, 2,4,5-trifluoro-, sodium salt (1:1), Sodium 2,4,5-trifluorobenzoate, sodium;2,4,5-trifluorobenzoate, Sodium2,4,5-trifluorobenzoate, MFCD03094399, 2,4,5-trifluorobenzoate Sodium, DTXSID50635720, sodium 2,4,5-trifluorobenzoate;, DFNAYAZQVIYLKO-UHFFFAOYSA-M, CK1076, SBB092247, AKOS015995321, PS-10119, SY316752, 2,4,5-trifluorobenzoic acid, sodium salt, CS-0170890

Application

Sodium 2,4,5-Trifluorobenzoate serves as a key intermediate in the synthesis of fluorinated active pharmaceutical ingredients (APIs), particularly in the development of kinase inhibitors and antimicrobial agents. Its trifluorinated aromatic ring enhances metabolic stability in drug candidates, making it valuable for medicinal chemistry applications. The compound is also employed in material science for designing liquid crystals and specialty polymers with tailored electronic properties.

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