Description

3,5-Difluorobenzoic Acid (CAS No. 455-40-3) is a high-purity aromatic carboxylic acid derivative featuring two fluorine atoms at the 3 and 5 positions of the benzene ring. With the molecular formula C₇H₄F₂O₂, this compound is widely utilized in pharmaceutical synthesis, agrochemical development, and advanced material research due to its reactive carboxyl group and electron-withdrawing fluorine substituents. Our product is rigorously tested to ensure ≥97% purity (HPLC), making it ideal for precision applications. Available in crystalline powder form with excellent solubility in organic solvents like DMSO, methanol, and ethanol. Suitable for use as a building block in cross-coupling reactions, ligand synthesis, and fluorinated polymer modification. Packaged under inert conditions to guarantee stability and longevity.

Properties

• CAS Number: 455-40-3
• Complexity: 151
• IUPAC Name: 3,5-difluorobenzoic acid
• InChI: InChI=1S/C7H4F2O2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3H,(H,10,11)
• InChI Key: GONAVIHGXFBTOZ-UHFFFAOYSA-N
• Exact Mass: 158.01793569
• Molecular Formula: C7H4F2O2
• Molecular Weight: 158.10
• SMILES: C1=C(C=C(C=C1F)F)C(=O)O
• Topological: 37.3
• Monoisotopic Mass: 158.01793569
• Synonyms: 3,5-Difluorobenzoic acid, 455-40-3, Benzoic acid, 3,5-difluoro-, DTXSID80196536, NSC 403726, DTXCID20119027, 610-261-8, gonavihgxfbtoz-uhfffaoysa-n, inchi=1/c7h4f2o2/c8-5-1-4(7(10)11)2-6(9)3-5/h1-3h,(h,10,11, MFCD00010323, NSC 403726; 3,?5-?Difluoro-benzoic Acid, NSC403726, 3,5 difluorobenzoic acid, 3,5 difluoro benzoic acid, 3,5-di-fluorobenzoic acid, 3,5-difluoro-benzoic acid, SCHEMBL157714, SCHEMBL5963520, SCHEMBL7075313, 3,5-Difluorobenzoic acid, 97%, SBB006663, STL169003, AKOS000120654, AB01033, AC-3950, CS-W016212, FD38263, NSC-403726, PS-8818, SY013820, DB-022051, D2596, NS00020419, ST50307031, EN300-20992, Z104485974

3,5-Difluorobenzoic acid serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, including protease inhibitors and kinase modulators. Its electron-deficient aromatic ring enhances reactivity in Pd-catalyzed coupling reactions, enabling efficient derivatization. Researchers also employ it as a precursor for liquid crystal materials and corrosion-resistant coatings. In agrochemistry, it acts as a scaffold for novel herbicides and fungicides. The compound’s stability under acidic conditions makes it valuable for controlled-release formulations.

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 (97.9%): 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 (97.9%)

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