Description

3-(Trifluoromethyl)pyridine-2-carbonitrile (CAS No. 406933-21-9) is a high-purity fluorinated pyridine derivative with the molecular formula C₇H₃F₃N₂. This specialized organic compound features a trifluoromethyl group at the 3-position and a nitrile group at the 2-position of the pyridine ring, offering unique reactivity and electronic properties. With a molecular weight of 172.11 g/mol, it is a valuable building block for pharmaceutical, agrochemical, and materials science research. The compound is supplied as a crystalline solid with ≥95% purity (HPLC) and is rigorously tested for consistency. Ideal for nucleophilic substitution reactions, cross-coupling reactions, and as a precursor for heterocyclic synthesis. Store under inert conditions at 2-8°C to maintain stability.

Properties

• CAS Number: 406933-21-9
• Complexity: 202
• IUPAC Name: 3-(trifluoromethyl)pyridine-2-carbonitrile
• InChI: InChI=1S/C7H3F3N2/c8-7(9,10)5-2-1-3-12-6(5)4-11/h1-3H
• InChI Key: RDEFTHKSTLWCEU-UHFFFAOYSA-N
• Exact Mass: 172.02483259
• Molecular Formula: C7H3F3N2
• Molecular Weight: 172.11
• SMILES: C1=CC(=C(N=C1)C#N)C(F)(F)F
• Topological: 36.7
• Monoisotopic Mass: 172.02483259
• Synonyms: 406933-21-9, 3-(trifluoromethyl)pyridine-2-carbonitrile, DTXSID50624735, DTXCID80575488, 963-236-1, 3-(Trifluoromethyl)picolinonitrile, 2-Cyano-3-trifluoromethylpyridine, 2-Cyano-3-(trifluoromethyl)pyridine, 3-TRIFLUOROMETHYL-PYRIDINE-2-CARBONITRILE, MFCD02091399, 2-Pyridinecarbonitrile, 3-(trifluoromethyl)-, SCHEMBL909452, SCHEMBL15880880, SBB088576, AKOS006278264, AB10704, CS-W005492, EF-0235, FC54380, NCGC00664484-01, AC-29127, SY017901, 3-(TRIFLUOROMETHYL)-2-CYANOPYRIDINE, DB-070075, EN300-121720, 3-Trifluoromethyl-pyridine-2-carbonitrile;3-(Trifluoromethyl)picolinonitrile

Application

3-(Trifluoromethyl)pyridine-2-carbonitrile is widely used as a key intermediate in the synthesis of bioactive molecules, particularly in pharmaceutical research for developing kinase inhibitors and antiviral agents. Its trifluoromethyl group enhances metabolic stability and lipophilicity in drug candidates. The compound also serves as a precursor for agrochemicals, such as herbicides and fungicides, leveraging its pyridine core. Researchers utilize it in materials science to create fluorinated ligands for catalysis or functionalized polymers.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• 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%)
• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• Acute Tox. 4 (100%)
• STOT SE 3 (100%)

If you are interested or have any questions, please contact us at support@atomfair.com

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