Description

3-Fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile (CAS No. 80194-71-4) is a high-purity fluorinated pyridine derivative with the molecular formula C₇H₂F₄N₂. This specialized heterocyclic compound features a nitrile group at the 2-position and both fluorine and trifluoromethyl substituents on the pyridine ring, offering unique electronic and steric properties for advanced synthetic applications. With a molecular weight of 190.10 g/mol, this building block is ideal for pharmaceutical intermediates, agrochemical development, and materials science research. Our product is rigorously tested for purity (typically ≥95% by HPLC or GC analysis) and supplied in sealed, light-resistant packaging under inert atmosphere to ensure stability. Researchers can leverage its reactivity in cross-coupling reactions, nucleophilic substitutions, and as a precursor for fused heterocycles. Technical data including ¹H/¹⁹F NMR spectra and MSDS are available upon request.

Properties

• CAS Number: 80194-71-4
• Complexity: 228
• IUPAC Name: 3-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile
• InChI: InChI=1S/C7H2F4N2/c8-5-1-4(7(9,10)11)3-13-6(5)2-12/h1,3H
• InChI Key: APIYAXCKQVOAAR-UHFFFAOYSA-N
• Exact Mass: 190.01541072
• Molecular Formula: C7H2F4N2
• Molecular Weight: 190.10
• SMILES: C1=C(C=NC(=C1F)C#N)C(F)(F)F
• Topological: 36.7
• Monoisotopic Mass: 190.01541072
• Synonyms: 80194-71-4, 3-fluoro-5-(trifluoromethyl)pyridine-2-carbonitrile, DTXSID90510461, DTXCID50461268, 888-335-6, 937-550-4, 3-Fluoro-5-(trifluoromethyl)picolinonitrile, 3-FLUORO-5-TRIFLUOROMETHYL-PYRIDINE-2-CARBONITRILE, MFCD11848039, 2-Pyridinecarbonitrile, 3-fluoro-5-(trifluoromethyl)-, C7H2F4N2, SCHEMBL6033856, APIYAXCKQVOAAR-UHFFFAOYSA-N, AKOS015991553, MF-0715, SB21292, SY033944, EN300-323231

Application

This fluorinated pyridine derivative serves as a key intermediate in the synthesis of bioactive molecules, particularly for developing novel kinase inhibitors and CNS-active compounds. The electron-withdrawing trifluoromethyl and nitrile groups make it valuable for creating electron-deficient aromatic systems in materials chemistry. Researchers utilize it in Suzuki-Miyaura couplings and palladium-catalyzed aminations for pharmaceutical lead optimization.

Safety and Hazards

GHS Hazard Statements

• H302+H312+H332 (100%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oral; acute toxicity, dermal; acute toxicity, inhalation]
• 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, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)

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