Description

Benzoic acid, 4-fluoro-, sodium salt (1:1) (CAS No. 499-90-1) is a high-purity sodium salt derivative of 4-fluorobenzoic acid, widely used in pharmaceutical, agrochemical, and material science research. With the molecular formula C₇H₄FNaO₂, this compound serves as a versatile intermediate for organic synthesis, particularly in the development of fluorinated aromatic compounds. Its crystalline structure ensures excellent solubility in polar solvents, making it ideal for reaction optimization and scale-up processes. Packaged under strict quality control, our product guarantees ≥98% purity (HPLC) with minimal trace impurities, ensuring reliable performance in sensitive applications. Suitable for laboratory and industrial use, it is supplied in secure, moisture-resistant containers to maintain stability.

Properties

• CAS Number: 499-90-1
• Complexity: 132
• IUPAC Name: sodium;4-fluorobenzoate
• InChI: InChI=1S/C7H5FO2.Na/c8-6-3-1-5(2-4-6)7(9)10;/h1-4H,(H,9,10);/q;+1/p-1
• InChI Key: BXUFZAPBZADONQ-UHFFFAOYSA-M
• Exact Mass: 162.00930181
• Molecular Formula: C7H4FNaO2
• Molecular Weight: 162.09
• SMILES: C1=CC(=CC=C1C(=O)[O-])F.[Na+]
• Topological: 40.1
• Monoisotopic Mass: 162.00930181
• Synonyms: 499-90-1, 4-Fluorobenzoic acid sodium salt, p-Fluorobenzoic acid sodium salt, Benzoic acid, 4-fluoro-, sodium salt (1:1), 610-488-2, sodium 4-fluorobenzoate, sodium;4-fluorobenzoate, sodium4-fluorobenzoate, BENZOIC ACID, 4-FLUORO-, SODIUM SALT, MFCD01661384, CHEMBL1762651, SCHEMBL1044193, DTXSID80198151, 4-fluorobenzoic acid, sodium salt, BXUFZAPBZADONQ-UHFFFAOYSA-M, SBB087563, AKOS003052886, AKOS006222291, AS-57925, SY316753, DB-051714, CS-0157531, D83108, EN300-7692148

This sodium salt derivative is primarily employed as a fluorinated building block in medicinal chemistry for designing bioactive molecules, such as enzyme inhibitors or receptor modulators. It is also utilized in agrochemical research for synthesizing herbicidal and pesticidal agents. Additionally, its compatibility with cross-coupling reactions makes it valuable in material science for developing advanced polymers and liquid crystals.

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