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  Zhonghua Xiang,Chuanqi Fang,Sanhua Leng,Dapeng Cao J. Mater. Chem. A, 2014,2, 7662-7665
• 2. An antioxidant self-healing hydrogel for 3D cell cultures?
  Lei Yang,Yuan Zeng,Haibo Wu,Chunwu Zhou,Lei Tao J. Mater. Chem. B, 2020,8, 1383-1388
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  Ravi Kumar Yadav,R. Govindaraj Phys. Chem. Chem. Phys., 2020,22, 26876-26886
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• Solvents and Organic Chemicals Organic Compounds Benzenoids Benzene and substituted derivatives Benzonitriles

3-Bromo-2-iodobenzonitrile (CAS No. 450412-21-2): Properties, Applications, and Market Insights

3-Bromo-2-iodobenzonitrile (CAS No. 450412-21-2) is a halogenated aromatic compound that has garnered significant attention in the field of organic synthesis and pharmaceutical research. This compound, characterized by its bromine and iodine substituents on a benzonitrile scaffold, serves as a versatile building block for the construction of complex molecules. Its unique structural features make it a valuable intermediate in the development of agrochemicals, pharmaceuticals, and advanced materials.

The molecular formula of 3-Bromo-2-iodobenzonitrile is C₇H₃BrIN, with a molecular weight of 308.91 g/mol. The presence of both bromo and iodo groups enhances its reactivity, enabling selective functionalization in cross-coupling reactions such as Suzuki, Stille, and Sonogashira couplings. Researchers often utilize this compound to introduce halogenated aromatic moieties into target molecules, a strategy commonly employed in drug discovery and material science.

One of the key applications of 3-Bromo-2-iodobenzonitrile lies in its role as a precursor for the synthesis of biologically active compounds. Recent studies highlight its use in the development of kinase inhibitors and antimicrobial agents, addressing pressing global health challenges such as antibiotic resistance and cancer therapy. The compound's ability to undergo sequential halogen exchange reactions further expands its utility in modular synthetic approaches.

From a market perspective, the demand for halogenated benzonitrile derivatives like 3-Bromo-2-iodobenzonitrile has seen steady growth, driven by the pharmaceutical industry's need for diverse chemical building blocks. Suppliers and manufacturers have responded by optimizing synthetic routes to improve yield and purity, with many offering custom synthesis services to meet specific research requirements. The compound's stability under standard storage conditions (typically at room temperature in a dry environment) contributes to its practicality for laboratory use.

Environmental and safety considerations for handling 3-Bromo-2-iodobenzonitrile follow standard laboratory protocols for halogenated compounds. While not classified as highly hazardous, proper personal protective equipment (PPE) including gloves and eye protection is recommended when working with this material. Researchers frequently search for information on its solubility profile (sparingly soluble in water but soluble in common organic solvents like DMSO and dichloromethane) and spectroscopic characteristics (distinctive NMR and mass spectra patterns) for analytical purposes.

Innovative applications continue to emerge for 3-Bromo-2-iodobenzonitrile in materials science, particularly in the development of organic electronic materials. Its ability to participate in palladium-catalyzed coupling reactions makes it valuable for creating conjugated systems used in OLEDs and organic photovoltaics. This aligns with current trends in sustainable technology development and green chemistry initiatives.

The synthesis of 3-Bromo-2-iodobenzonitrile typically involves halogenation of appropriate benzonitrile precursors, with careful control of reaction conditions to achieve the desired regioisomer. Process optimization remains an active area of research, with recent publications focusing on catalyst systems and solvent effects to improve selectivity and reduce byproduct formation. These advancements contribute to the compound's growing accessibility for research applications.

Analytical characterization of 3-Bromo-2-iodobenzonitrile presents unique challenges and opportunities due to the presence of two different heavy halogens. Modern techniques such as high-resolution mass spectrometry and X-ray crystallography have been employed to confirm its structure and purity. These analytical data points are frequently requested by researchers evaluating the compound for their specific applications.

Looking forward, the scientific community anticipates expanded use of 3-Bromo-2-iodobenzonitrile in diversity-oriented synthesis and fragment-based drug discovery. Its balanced reactivity profile makes it particularly suitable for library synthesis in medicinal chemistry programs. The compound's commercial availability from multiple specialty chemical suppliers ensures researchers can readily access it for their projects.

In conclusion, 3-Bromo-2-iodobenzonitrile (CAS No. 450412-21-2) represents an important tool in modern synthetic chemistry, with applications spanning pharmaceutical development, materials science, and beyond. Its unique combination of halogen substituents on an aromatic nitrile framework provides valuable synthetic versatility that continues to inspire innovative research across multiple disciplines.

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