Description

2,3-Difluoro-5-(trifluoromethyl)pyridine (CAS No. 89402-42-6) is a high-purity fluorinated pyridine derivative with the molecular formula C₆H₂F₅N. This specialized heterocyclic compound is designed for advanced research and industrial applications, featuring a unique trifluoromethyl group and two fluorine substituents on the pyridine ring, which enhance its reactivity and utility in organofluorine chemistry. Its precise structure (IUPAC name: 2,3-difluoro-5-(trifluoromethyl)pyridine) ensures consistent performance in synthetic transformations, particularly in pharmaceutical, agrochemical, and materials science research. Available in rigorously controlled batches, this compound is ideal for cross-coupling reactions, nucleophilic substitutions, and as a building block for fluorinated scaffolds. Packaged under inert conditions to guarantee stability and purity.

Properties

• CAS Number: 89402-42-6
• Complexity: 157
• IUPAC Name: 2,3-difluoro-5-(trifluoromethyl)pyridine
• InChI: InChI=1S/C6H2F5N/c7-4-1-3(6(9,10)11)2-12-5(4)8/h1-2H
• InChI Key: XIFCGIKPAAZFFS-UHFFFAOYSA-N
• Exact Mass: 183.01073988
• Molecular Formula: C6H2F5N
• Molecular Weight: 183.08
• SMILES: C1=C(C=NC(=C1F)F)C(F)(F)F
• Topological: 12.9
• Monoisotopic Mass: 183.01073988
• Synonyms: 2,3-Difluoro-5-(trifluoromethyl)pyridine, 89402-42-6, DTXSID10540285, EC 677-278-0, DTXCID20491072, 677-278-0, 2,3-Difluoro-5-trifluoromethylpyridine, MFCD04972837, Pyridine, 2,3-difluoro-5-(trifluoromethyl)-, 2,3-difluoro-5-trifluoromethyl-pyridine, SCHEMBL609041, BBL100397, SBB089988, STL554191, AKOS005063715, DS-9055, FD75484, SB17911, AC-24489, SY032271, 2,3-di-fluoro-5-(trifluoromethyl)pyridine, 2,3-difluoro-5-(trifluoromethyl)-pyridine, DB-346426, CS-0007626, D4623, NS00007505, EN300-393323, 2,3-Difluoro-5-(trifluoromethyl)pyridine, AldrichCPR

Application

2,3-Difluoro-5-(trifluoromethyl)pyridine serves as a versatile intermediate in the synthesis of fluorinated pharmaceuticals and agrochemicals, where its electron-withdrawing groups facilitate selective functionalization. It is employed in cross-coupling reactions to construct complex heterocycles for drug discovery, particularly in kinase inhibitors and CNS-targeting molecules. The compound’s trifluoromethyl group also enhances lipophilicity, making it valuable in the development of bioactive compounds with improved metabolic stability.

Safety and Hazards

GHS Hazard Statements

• H226 (85.1%): Flammable liquid and vapor [Warning Flammable liquids]
• H301 (83%): Toxic if swallowed [Danger Acute toxicity, oral]
• H315 (17%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (14.9%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501

Hazard Classes and Categories

• Flam. Liq. 3 (85.1%)
• Acute Tox. 3 (83%)
• Skin Irrit. 2 (17%)
• Eye Irrit. 2 (100%)
• STOT SE 3 (14.9%)

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