Description

2,6-Difluorobenzoic Acid (CAS No. 385-00-2) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₇H₄F₂O₂. This white to off-white crystalline powder is a versatile building block in organic synthesis, particularly in pharmaceutical and agrochemical research. With a molecular weight of 158.10 g/mol, it exhibits excellent stability under standard conditions. The compound is characterized by two fluorine atoms at the ortho positions relative to the carboxylic acid group, enhancing its reactivity in nucleophilic substitution and metal-catalyzed coupling reactions. Packaged under inert gas to ensure longevity, our 2,6-Difluorobenzoic Acid is rigorously tested via HPLC, GC, and NMR to guarantee ≥98% purity. Ideal for use in Suzuki-Miyaura cross-coupling, peptide synthesis, and as a precursor for liquid crystal materials.

Properties

• CAS Number: 385-00-2
• Complexity: 151
• IUPAC Name: 2,6-difluorobenzoic acid
• InChI: InChI=1S/C7H4F2O2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3H,(H,10,11)
• InChI Key: ONOTYLMNTZNAQZ-UHFFFAOYSA-N
• Exact Mass: 158.01793569
• Molecular Formula: C7H4F2O2
• Molecular Weight: 158.10
• SMILES: C1=CC(=C(C(=C1)F)C(=O)O)F
• Topological: 37.3
• Monoisotopic Mass: 158.01793569
• Physical Description: Light brown crystalline solid;
• Vapor Pressure: 0.02 [mmHg]
• Synonyms: 2,6-DIFLUOROBENZOIC ACID, 385-00-2, Benzoic acid, 2,6-difluoro-, BRN 0973774, EINECS 206-856-3, NSC 126584, 95B9M9KUY5, 2,6-difluorobenzoate, AI3-63060, NSC-126584, DTXSID7075391, 3-09-00-01330 (Beilstein Handbook Reference), DIFLUOROBENZOIC ACID, 2,6-, 2,6-difluorobenzoate calcium dihydrate, Benzoic acid, 2,6difluoro, DTXCID4039520, 206-856-3, inchi=1/c7h4f2o2/c8-4-2-1-3-5(9)6(4)7(10)11/h1-3h,(h,10,11, onotylmntznaqz-uhfffaoysa-n, 2,6-Difluorobenzoicacid, MFCD00002411, 2,6-difluoro benzoic acid, NSC126584, Benzoic acid,6-difluoro-, 2,6,-difluorobenzoic acid, 2,6-difluoro-benzoic acid, UNII-95B9M9KUY5, SCHEMBL260553, SCHEMBL1486824, SCHEMBL28838213, 2,6-Difluorobenzoic acid, 98%, CS-M0554, SBB063129, STK802604, TD1186, AKOS000119515, AC-2898, BS-3869, CGA 149776, FD03493, SY003297, DB-015928, D1629, NS00015499, ST50213952, EN300-20036, A856661, AN-584/43306766, F2191-0055, Z104476530

Application

2,6-Difluorobenzoic Acid is widely employed as a key intermediate in the synthesis of active pharmaceutical ingredients (APIs), particularly for non-steroidal anti-inflammatory drugs (NSAIDs) and antifungal agents. Its fluorinated structure makes it valuable in agrochemical research for developing novel herbicides and pesticides with enhanced bioavailability. The compound also serves as a precursor in the production of specialty polymers and liquid crystal displays (LCDs) due to its rigid aromatic backbone and fluorine substitution pattern.

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 (96.2%): 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. 2A (100%)
• STOT SE 3 (96.2%)

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