872682-21-8

Basic information

• Product Name: (PNP)Ir(C₆H₅)Cl
• CAS NO: 872682-21-8
• Molecular Weight: 733.337
• Mol File: 872682-21-8.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: (PNP)Ir(C₆H₅)Cl(CAS DataBase Reference)
• NIST Chemistry Reference: (PNP)Ir(C₆H₅)Cl(872682-21-8)
• EPA Substance Registry System: (PNP)Ir(C₆H₅)Cl(872682-21-8)

Safety Data

• Hazardous Substances Data: 872682-21-8(Hazardous Substances Data)

Upstream product

• 872682-22-9 (PNP)Ir(C₆H₄Cl)H 
• 872682-20-7 (PNP)Ir(C₆H₅)H 
• 52853-18-6 N,N-diethyl(methylene)ammonium chloride 

Relevant articles and documents

Halobenzenes and Ir(I): Kinetic C-H oxidative addition and thermodynamic C-Hal oxidative addition

A (PNP)Ir fragment undergoes facile, room-temperature oxidative addition of C-H bonds in arenes and haloarenes in preference to aromatic carbon-halogen bonds. This preference, however, is determined to be kinetic in nature. Oxidative addition of C-Cl and C-Br is preferred thermodynamically. The products of the C-Cl or C-Br oxidative addition are separated from the C-H oxidative addition products by a high activation barrier and are only accessible at >100 °C. Of the C-H oxidative addition products of chlorobenzene, the isomer with the o-ClC6H4 ligand has the lowest energy. Copyright