Description

4-Fluoropyridine-2-carbonitrile (CAS No. 847225-56-3) is a high-purity fluorinated pyridine derivative with the molecular formula C₆H₃FN₂. This compound is a versatile building block in pharmaceutical and agrochemical research, offering a reactive nitrile group and a fluorine substituent for selective modifications. Its IUPAC name, 4-fluoropyridine-2-carbonitrile, reflects its precise structural configuration. The product is rigorously tested for quality, ensuring ≥95% purity (HPLC) and optimal stability under recommended storage conditions (2-8°C, inert atmosphere). Ideal for coupling reactions, heterocyclic synthesis, and as a precursor for fluorinated bioactive molecules. Available in scalable quantities with batch-specific certificates of analysis.

Properties

• CAS Number: 847225-56-3
• Complexity: 137
• IUPAC Name: 4-fluoropyridine-2-carbonitrile
• InChI: InChI=1S/C6H3FN2/c7-5-1-2-9-6(3-5)4-8/h1-3H
• InChI Key: NIKWVAPXRQHXHR-UHFFFAOYSA-N
• Exact Mass: 122.02802627
• Molecular Formula: C6H3FN2
• Molecular Weight: 122.10
• SMILES: C1=CN=C(C=C1F)C#N
• Topological: 36.7
• Monoisotopic Mass: 122.02802627
• Synonyms: 4-fluoropyridine-2-carbonitrile, 635-917-0, 4-Fluoropicolinonitrile, 847225-56-3, 2-Cyano-4-fluoropyridine, MFCD09834127, 2-Pyridinecarbonitrile, 4-fluoro-, 4-fluoro-2-pyridinecarbonitrile, 4-fluoro-2-cyano pyridine, SCHEMBL1149718, SCHEMBL1613549, DTXSID80458606, NIKWVAPXRQHXHR-UHFFFAOYSA-N, BBL102315, STL556114, AKOS005063484, AB52749, NCGC00664527-01, DS-11187, SY035898, DB-081860, CS-0060702, EN300-123799, Y10492

Application

4-Fluoropyridine-2-carbonitrile serves as a key intermediate in the synthesis of fluorinated pharmaceuticals, particularly kinase inhibitors and antimicrobial agents. Its nitrile group enables facile conversion to amidines, tetrazoles, or carboxylic acid derivatives, while the fluorine atom enhances metabolic stability in drug candidates. Researchers also utilize it in Suzuki-Miyaura cross-coupling reactions to construct complex heteroaromatic scaffolds. Suitable for labeling studies in PET radiochemistry due to the fluorine moiety.

Safety and Hazards

GHS Hazard Statements

• H302 (97.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H318 (97.6%): Causes serious eye damage [Danger 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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (97.6%)
• Skin Irrit. 2 (100%)
• Eye Dam. 1 (97.6%)
• STOT SE 3 (100%)

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