Description

2,6-Bis(trifluoromethyl)benzonitrile (CAS No. 25753-25-7) is a high-purity fluorinated aromatic nitrile compound with the molecular formula C₉H₃F₆N. This specialty chemical features two electron-withdrawing trifluoromethyl groups ortho to a nitrile functionality, making it a valuable intermediate in organic synthesis and pharmaceutical research. The compound is supplied as a clear, colorless to pale yellow liquid with a characteristic aromatic odor, and is rigorously tested for purity (typically ≥98% by GC). It is packaged under inert gas to ensure stability and shipped with a detailed Certificate of Analysis. Ideal for use in nucleophilic substitution reactions, cross-coupling chemistry, and as a building block for advanced materials, this reagent is handled in a controlled environment to maintain its integrity. Store in a cool, dry place away from oxidizing agents and strong bases.

Properties

• CAS Number: 25753-25-7
• Complexity: 273
• IUPAC Name: 2,6-bis(trifluoromethyl)benzonitrile
• InChI: InChI=1S/C9H3F6N/c10-8(11,12)6-2-1-3-7(5(6)4-16)9(13,14)15/h1-3H
• InChI Key: ANWBHDYEEOSTSE-UHFFFAOYSA-N
• Exact Mass: 239.01696807
• Molecular Formula: C9H3F6N
• Molecular Weight: 239.12
• SMILES: C1=CC(=C(C(=C1)C(F)(F)F)C#N)C(F)(F)F
• Topological: 23.8
• Monoisotopic Mass: 239.01696807
• Synonyms: 2,6-bis(trifluoromethyl)benzonitrile, 25753-25-7, MFCD00061226, 2,6-bis(trifluoromethyl)benzenecarbonitrile, 2,6-Di(trifluoromethyl)benzonitrile, 1,3-Bis(trifluoromethyl)-2-cyanobenzene, SCHEMBL1906819, DTXSID00371141, ANWBHDYEEOSTSE-UHFFFAOYSA-N, SBB064655, AKOS015890192, AB93173, PS-7605, SY101462, DB-067455, CS-0067899, 2 pound not6-Bis(trifluoromethyl)benzonitrile, A817999

Application

2,6-Bis(trifluoromethyl)benzonitrile serves as a key precursor in the synthesis of pharmaceuticals, agrochemicals, and liquid crystals due to its electron-deficient aromatic ring. The trifluoromethyl groups enhance metabolic stability in drug discovery, making it valuable for developing kinase inhibitors and CNS-active compounds. It is also employed in palladium-catalyzed cross-coupling reactions to construct complex heterocycles. In materials science, this nitrile derivative contributes to the design of high-performance polymers with exceptional thermal and chemical resistance.

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