Description

2-Chloro-6-iodobenzonitrile (CAS No. 89642-53-5) is a high-purity halogenated benzonitrile derivative with the molecular formula C₇H₃ClIN. This compound is a valuable synthetic intermediate in organic chemistry and pharmaceutical research, featuring both chloro and iodo substituents on the aromatic ring for enhanced reactivity in cross-coupling reactions. Its crystalline structure and well-defined molecular weight (263.46 g/mol) ensure consistent performance in nucleophilic substitution and palladium-catalyzed transformations. Packaged under inert conditions to maintain stability, this reagent is ideal for Suzuki-Miyaura, Buchwald-Hartwig, and other metal-catalyzed coupling reactions. Suitable for use in medicinal chemistry, material science, and agrochemical development.

Properties

• CAS Number: 89642-53-5
• Complexity: 162
• IUPAC Name: 2-chloro-6-iodo-benzonitrile
• InChI: InChI=1S/C7H3ClIN/c8-6-2-1-3-7(9)5(6)4-10/h1-3H
• InChI Key: MSYWVDNGKVMKIS-UHFFFAOYSA-N
• Exact Mass: 262.89987
• Molecular Formula: C7H3ClIN
• Molecular Weight: 263.46
• SMILES: C1=CC(=C(C(=C1)I)C#N)Cl
• Topological: 23.8
• Monoisotopic Mass: 262.89987
• Synonyms: 2-Chloro-6-iodobenzonitrile, 89642-53-5, Benzonitrile, 2-chloro-6-iodo-, MFCD01763605, 6-Iodo-2-chlorobenzonitrile, 2-Chloro-6-iodobenzonitrile #, SCHEMBL12845273, DTXSID10347458, MSYWVDNGKVMKIS-UHFFFAOYSA-N, HMS1662M15, CCG-54783, AKOS015998835, AC-26122, AS-18601, DB-025879, CS-0041321, SR-01000643853-1

Application

2-Chloro-6-iodobenzonitrile serves as a versatile building block in the synthesis of complex organic molecules, particularly in pharmaceutical intermediates. It is widely used in palladium-catalyzed cross-coupling reactions to construct biaryl systems for drug discovery. Researchers also employ it in the development of liquid crystals and agrochemicals due to its halogen-rich structure. Its dual functionality (chloro and iodo groups) allows selective functionalization in multi-step synthetic routes.

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