Description

4-Iodo-2-cyanopyridine (CAS No. 913836-19-8) is a high-purity heterocyclic compound with the molecular formula C₆H₃IN₂. This versatile chemical building block features an iodine substituent at the 4-position and a cyano group at the 2-position of the pyridine ring, making it an excellent intermediate for nucleophilic substitution reactions, cross-coupling reactions (e.g., Suzuki, Stille, and Sonogashira couplings), and other synthetic transformations. With a molecular weight of 230.01 g/mol, it is supplied as a white to off-white crystalline powder with ≥95% purity (HPLC). Ideal for pharmaceutical research, agrochemical development, and material science applications, this compound is rigorously tested for quality and stability. Store in a cool, dry place under inert conditions to maintain optimal shelf life.

Properties

• CAS Number: 913836-19-8
• Complexity: 137
• IUPAC Name: 4-iodopyridine-2-carbonitrile
• InChI: InChI=1S/C6H3IN2/c7-5-1-2-9-6(3-5)4-8/h1-3H
• InChI Key: BGDBXTAJJAFSGO-UHFFFAOYSA-N
• Exact Mass: 229.93410
• Molecular Formula: C6H3IN2
• Molecular Weight: 230.01
• SMILES: C1=CN=C(C=C1I)C#N
• Topological: 36.7
• Monoisotopic Mass: 229.93410
• Synonyms: 4-Iodo-2-Cyanopyridine, 687-919-6, 4-Iodopicolinonitrile, 913836-19-8, 4-iodopyridine-2-carbonitrile, 4-iodo-2-pyridinecarbonitrile, MFCD08689497, 2-Cyano-4-iodopyridine, 2-Pyridinecarbonitrile,4-iodo-, 4-Iodopyridine-2-carbonitrile, 4-Iodopicolinonitrile, SCHEMBL1062265, DTXSID20634083, BGDBXTAJJAFSGO-UHFFFAOYSA-N, SB21113, BS-24712, SY025018, CS-0082400, P10625

4-Iodo-2-cyanopyridine is widely used as a key intermediate in organic synthesis, particularly in the preparation of pharmaceuticals and functional materials. Its reactive iodine and cyano groups enable efficient derivatization for drug discovery, such as kinase inhibitor development. Researchers also employ it in palladium-catalyzed cross-coupling reactions to construct complex heterocyclic scaffolds. Suitable for lab-scale and industrial applications requiring high regioselectivity.

Safety and Hazards

GHS Hazard Statements

• H302 (50%): 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

• Skin Irrit. 2 (50%)
• Eye Irrit. 2 (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.