Description

2-Iodobenzonitrile (CAS No. 4387-36-4) is a high-purity aromatic nitrile compound with the molecular formula C₇H₄IN. This versatile organic intermediate features an iodine substituent at the ortho position of the benzonitrile scaffold, making it a valuable building block for synthetic organic chemistry, pharmaceutical research, and material science applications. Our product is rigorously tested to ensure exceptional quality, with typical purity levels exceeding 98% (HPLC).

Available in convenient packaging options ranging from 1g to 1kg, this compound is ideal for use in cross-coupling reactions, palladium-catalyzed transformations, and as a precursor for heterocyclic synthesis. The product is supplied as a white to off-white crystalline powder with excellent stability when stored under recommended conditions (room temperature, inert atmosphere).

Technical specifications include: Molecular Weight: 229.02 g/mol, Melting Point: 48-52°C, Boiling Point: 285°C (estimated), Density: 1.85 g/cm³. All shipments include comprehensive analytical documentation including HPLC chromatograms and NMR spectra for quality verification.

Properties

• CAS Number: 4387-36-4
• Complexity: 135
• IUPAC Name: 2-iodobenzonitrile
• InChI: InChI=1S/C7H4IN/c8-7-4-2-1-3-6(7)5-9/h1-4H
• InChI Key: JDDAFHUEOVUDFJ-UHFFFAOYSA-N
• Exact Mass: 228.93885
• Molecular Formula: C7H4IN
• Molecular Weight: 229.02
• SMILES: C1=CC=C(C(=C1)C#N)I
• Topological: 23.8
• Monoisotopic Mass: 228.93885
• Synonyms: 2-Iodobenzonitrile, 4387-36-4, DTXSID40374757, DTXCID20325787, 610-156-7, o-iodobenzonitrile, Benzonitrile, 2-iodo-, MFCD00079761, 2-iodobenzenecarbonitrile, 1-Cyano-2-iodobenzene, iodobenzonitrile, 2-cyanoiodobenzene, 1-Cyano-2-iodobenzene; 2-Cyanophenyl Iodide; 2-Iodophenyl Cyanide; o-Cyanophenyl Iodide; o-Iodobenzonitrile, o-Cyanophenyl iodide, 2-Cyanophenyl iodide, 2-Iodophenyl cyanide, 2-Iodobenzonitrile, 97%, SCHEMBL365279, SCHEMBL16955460, SCHEMBL16957661, SBB059075, AKOS015853870, AC-1185, CS-W010392, PS-7743, SY004938, DB-014124, I0659, NS00122469, ST51043360, EN300-59601, AE-641/03255019, Z57899723

Application

2-Iodobenzonitrile serves as a key intermediate in Suzuki-Miyaura and other palladium-catalyzed cross-coupling reactions for pharmaceutical synthesis. The compound finds particular utility in constructing complex heterocyclic systems common in drug discovery programs. Researchers also employ this reagent in materials science for developing liquid crystals and organic electronic materials. The ortho-iodo substitution pattern makes it especially valuable for constructing sterically constrained molecular architectures.

Safety and Hazards

GHS Hazard Statements

• H302 (95.6%): Harmful if swallowed [Warning Acute toxicity, oral]
• H319 (97.8%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501

Hazard Classes and Categories

• Acute Tox. 4 (95.6%)
• Eye Irrit. 2 (97.8%)

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.