3-Isocyanatobenzonitrile(CAS: 16413-26-6)

3-Isocyanatobenzonitrile (CAS: 16413-26-6) is a crystalline solid with a molecular weight of approximately 150.17 g/mol. It is slightly soluble in water but soluble in organic solvents. The compound is highly reactive, particularly towards nucleophiles and reduces in polymer synthesis and other organic reactions. It has a density of about 1.22 g/cm³ at 20°C.

3-Isocyanatobenzonitrile (CAS: 16413-26-6) is typically synthesized by the reaction of 2-benzonitrile with phosgene in the presence of a catalyst such as pyridine. The process involves the formation of a nitrilimine intermediate followed by the elimination of pyridine to yield the target isocyanate. The reaction is performed under anhydrous conditions to prevent side reactions.

3-Isocyanatobenzonitrile (CAS: 16413-26-6) is used in various industries, including pharmaceuticals for the synthesis of certain drugs, polymers for the production of specific types of plastics, and in the development of sensors and semiconductors for electronic applications. Its reactivity and functional groups make it a valuable reagent in organic chemistry.

When handling 3-Isocyanatobenzonitrile (CAS: 16413-26-6), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, goggles, and a lab coat. Work should be conducted in a fume hood to minimize exposure to the vapor. Spills should be cleaned up with care, and disposal should follow local regulations. Always refer to the Safety Data Sheet (SDS) for detailed safety information and emergency procedures.