181028-58-0

Basic information

• Product Name: Ir(Cl)2(CS)2(P(C₆H₅)3)2⁽¹⁺⁾*I₃^(1-)=[Ir(Cl)2(CS)2(P(C₆H₅)3)2]I₃
• CAS NO: 181028-58-0
• Molecular Weight: 1256.58
• Mol File: 181028-58-0.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Ir(Cl)2(CS)2(P(C₆H₅)3)2⁽¹⁺⁾*I₃^(1-)=[Ir(Cl)2(CS)2(P(C₆H₅)3)2]I₃(CAS DataBase Reference)
• NIST Chemistry Reference: Ir(Cl)2(CS)2(P(C₆H₅)3)2⁽¹⁺⁾*I₃^(1-)=[Ir(Cl)2(CS)2(P(C₆H₅)3)2]I₃(181028-58-0)
• EPA Substance Registry System: Ir(Cl)2(CS)2(P(C₆H₅)3)2⁽¹⁺⁾*I₃^(1-)=[Ir(Cl)2(CS)2(P(C₆H₅)3)2]I₃(181028-58-0)

Safety Data

• Hazardous Substances Data: 181028-58-0(Hazardous Substances Data)

Upstream product

• 16911-89-0 phenyl chlorodithioformate 
• 30106-92-4 [IrCl(thiocarbonyl)(triphenylphosphine)2] 
• 7553-56-2 iodine 
• 181028-56-8 Ir(Cl)2(C(S)SC₆H₅)(CS)(P(C₆H₅)3)2 

Relevant articles and documents

Convenient syntheses of [IrCl(CS)(PPh3)2] and a Bis(thiocarbonyl) complex of iridium

Treating [IrCl(CO)(PPh3)2] with ClC(=S)OR (R = C6H4Me-4) provides [IrCl2{C(=S)OR}-(CO)(PPh3)2], which reacts with NaBH4 to give [IrHCl{C(=S)OR}(CO)(PPh3)2]. The aryloxide group is cleaved by HCl to give [IrHCl2(CS)(PPh3)2], which is dehydrochlorinated by DBU to provide [IrCl(CS)(PPh3)2] (overall yield for Ir(CO) → Ir(CS) 75%). Treating [IrCl(CS)-(PPH3)2] with ClC(=S)SPh provides [IrCl2{C(=S)SPh}(CS)(PPH3)2] (in equilibrium with [IrCl-(η2-SCSPh)(CS)(PPH3)2]Cl) which reacts subsequently with I2 or ICl to provide [IrCl2(CS)2-(PPH3)2]X (X = I3, Cl). [Ir(CS2Ph)Cl2(CO)(PPH3)2], however, reacts with I2 to provide [IrClI2(CS)(PPH3)2]. Reaction of [IrHCl2(CS)(PPH3)2] with CNC6H3Me2-2,6 does not proceed via migratory insertion but, rather, leads to reduction of iridium and formation of the salt [Ir(CNC6H3Me2-2,6)2(CS)(PPH 3)2]Cl. ? Dedicated to Professor Max Herberhold on the occasion of his 60th birthday.