Description

Sodium 2,5-Difluorobenzoate (CAS No. 522651-42-9) is a high-purity organic compound with the molecular formula C₇H₃F₂NaO₂. This fine chemical is widely utilized in pharmaceutical research, agrochemical synthesis, and advanced material science due to its unique fluorinated aromatic structure. The compound is supplied as a white to off-white crystalline powder with exceptional stability and solubility in polar solvents. Each batch undergoes rigorous QC testing including HPLC, NMR, and elemental analysis to ensure >98% purity, making it ideal for sensitive applications. Proper storage in a cool, dry environment under inert conditions is recommended to maintain product integrity.

Properties

• CAS Number: 522651-42-9
• Complexity: 165
• IUPAC Name: sodium;2,5-difluorobenzoate
• InChI: InChI=1S/C7H4F2O2.Na/c8-4-1-2-6(9)5(3-4)7(10)11;/h1-3H,(H,10,11);/q;+1/p-1
• InChI Key: YABTWKXFBHYZNH-UHFFFAOYSA-M
• Exact Mass: 179.99987994
• Molecular Formula: C7H3F2NaO2
• Molecular Weight: 180.08
• SMILES: C1=CC(=C(C=C1F)C(=O)[O-])F.[Na+]
• Topological: 40.1
• Monoisotopic Mass: 179.99987994
• Synonyms: Sodium 2,5-difluorobenzoate, 522651-42-9, DTXSID20635717, DTXCID30586468, 610-815-9, sodium;2,5-difluorobenzoate, Benzoic acid, 2,5-difluoro-, sodium salt (1:1), MFCD03094396, 2,5-difluorobenzoic acid, sodium salt, Sodium2,5-difluorobenzoate, SCHEMBL28742315, YABTWKXFBHYZNH-UHFFFAOYSA-M, SBB089608, AKOS015995374, AS-59230, DB-352690, CS-0187633, N11909, sodium 2,5-difluorobenzoate;2,5-difluorobenzoic acid, sodium salt;

Sodium 2,5-Difluorobenzoate serves as a key intermediate in the synthesis of fluorinated pharmaceutical compounds, particularly COX-2 inhibitors. Its difluorinated aromatic ring system enables precise modulation of electronic properties in medicinal chemistry applications. The compound also finds use as a building block for advanced materials with tailored dielectric properties. Researchers employ this reagent in palladium-catalyzed coupling reactions for complex molecule construction. Its sodium salt formulation enhances solubility for homogeneous reaction conditions in organic transformations.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.