Description

2,6-Bis(trifluoromethyl)benzoic acid (CAS No. 24821-22-5) is a high-purity fluorinated aromatic carboxylic acid with the molecular formula C₉H₄F₆O₂. This compound features two electron-withdrawing trifluoromethyl groups ortho to the carboxylic acid moiety, enhancing its acidity and reactivity. It is supplied as a white crystalline solid with >98% purity (HPLC), ideal for organofluorine chemistry, catalysis, and pharmaceutical intermediate synthesis. The product is rigorously tested for trace metals, moisture, and impurities to meet stringent research standards. Packaged under inert gas in amber glass vials to ensure stability, it is compatible with Grignard reactions, esterifications, and ligand design for transition metal complexes.

Properties

• CAS Number: 24821-22-5
• Complexity: 273
• IUPAC Name: 2,6-bis(trifluoromethyl)benzoic acid
• InChI: InChI=1S/C9H4F6O2/c10-8(11,12)4-2-1-3-5(9(13,14)15)6(4)7(16)17/h1-3H,(H,16,17)
• InChI Key: XZNLSDPNMNWCRE-UHFFFAOYSA-N
• Exact Mass: 258.01154834
• Molecular Formula: C9H4F6O2
• Molecular Weight: 258.12
• SMILES: C1=CC(=C(C(=C1)C(F)(F)F)C(=O)O)C(F)(F)F
• Topological: 37.3
• Monoisotopic Mass: 258.01154834
• Synonyms: 2,6-Bis(trifluoromethyl)benzoic acid, 24821-22-5, Benzoic acid, 2,6-bis(trifluoromethyl)-, 2,6-di(Trifluoromethyl)benzoic acid, EINECS 246-479-1, DTXSID40179522, DTXCID00102013, 246-479-1, xznlsdpnmnwcre-uhfffaoysa-n, MFCD00000376, 2,6-bis-trifluoromethylbenzoic acid, 3VW9D8KD6R, 2,6-Bis-trifluoromethyl-benzoic acid, UNII-3VW9D8KD6R, SCHEMBL504216, SCHEMBL1486789, 2,6-Bistrifluoromethyl benzoic acid, BBL102248, CK2214, SBB000962, STL556047, AKOS015852700, AC-3899, CS-W010161, FB10492, PS-11115, SY061754, DB-046554, 2,6-Bis(trifluoromethyl)benzoic acid, 98%, NS00049065, ST50307056, EN300-1706142, Z276573120

Application

2,6-Bis(trifluoromethyl)benzoic acid serves as a key building block in the synthesis of fluorinated liquid crystals and agrochemicals. Its strong electron-withdrawing properties make it valuable in designing ligands for asymmetric catalysis, particularly in palladium-catalyzed cross-coupling reactions. Researchers also utilize it to modify polymer backbones for enhanced thermal and chemical resistance in advanced materials.

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%)

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