Description

2-Chloro-5-fluoropyridine-3-carbonitrile (CAS 791644-48-9) is a high-purity heterocyclic building block widely used in pharmaceutical and agrochemical research. This compound, with the molecular formula C₆H₂ClFN₂, features a pyridine core substituted with chloro, fluoro, and cyano functional groups, offering versatile reactivity for cross-coupling reactions, nucleophilic substitutions, and other transformations. Its unique structure makes it invaluable for the synthesis of biologically active molecules, including potential drug candidates and crop protection agents. Available in >98% purity by HPLC, this reagent is rigorously tested for quality and consistency, ensuring reliable performance in demanding synthetic applications. Packaged under inert gas to maximize stability, it is supplied in amber glass vials with secure closures to prevent moisture ingress and degradation.

Properties

• CAS Number: 791644-48-9
• Complexity: 164
• IUPAC Name: 2-chloro-5-fluoro-pyridine-3-carbonitrile
• InChI: InChI=1S/C6H2ClFN2/c7-6-4(2-9)1-5(8)3-10-6/h1,3H
• InChI Key: SUBZTZVHVGYOPM-UHFFFAOYSA-N
• Exact Mass: 155.9890539
• Molecular Formula: C6H2ClFN2
• Molecular Weight: 156.54
• SMILES: C1=C(C=NC(=C1C#N)Cl)F
• Topological: 36.7
• Monoisotopic Mass: 155.9890539
• Synonyms: 791644-48-9, 2-chloro-5-fluoropyridine-3-carbonitrile, DTXSID80630642, DTXCID50581394, 964-885-3, 2-CHLORO-5-FLUORONICOTINONITRILE, 2-Chloro-5-fluoro-3-pyridinecarbonitrile, MFCD15526908, 3-Pyridinecarbonitrile, 2-chloro-5-fluoro-, SCHEMBL165874, 2-Chloro-5-fluornicotinonitrile, SCHEMBL19304821, 2-chloro-5-fluoro-nicotinonitrile, SUBZTZVHVGYOPM-UHFFFAOYSA-N, AKOS016004454, SB17689, AC-23310, SY066969, 2-Chloro-5-fluoro-pyridine-3-carbonitrile, DB-050649, CS-0051953, 2-Chloro-5-fluoronicotinonitrile, AldrichCPR, EN300-7156915

Application

2-Chloro-5-fluoropyridine-3-carbonitrile serves as a key intermediate in medicinal chemistry for the development of kinase inhibitors and other small-molecule therapeutics. Its electron-deficient pyridine ring facilitates palladium-catalyzed cross-coupling reactions to construct complex heterocyclic scaffolds. The compound is also employed in agrochemical research for synthesizing novel pesticides and herbicides. Researchers utilize its reactive sites for sequential functionalization to access diverse chemical space.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H312 (50%): Harmful in contact with skin [Warning Acute toxicity, dermal]
• H315 (50%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H332 (50%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H335 (50%): 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 (50%)
• Skin Irrit. 2 (50%)
• Eye Irrit. 2A (50%)
• Acute Tox. 4 (50%)
• STOT SE 3 (50%)

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