115031-97-5

Basic information

• Product Name: CH₃C₆H₄CH₂N(CH₃)2H⁽¹⁺⁾*Cl^(1-)=CH₃C₆H₄CH₂N(CH₃)2HCl
• CAS NO: 115031-97-5
• Molecular Weight: 185.697
• Mol File: 115031-97-5.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: CH₃C₆H₄CH₂N(CH₃)2H⁽¹⁺⁾*Cl^(1-)=CH₃C₆H₄CH₂N(CH₃)2HCl(CAS DataBase Reference)
• NIST Chemistry Reference: CH₃C₆H₄CH₂N(CH₃)2H⁽¹⁺⁾*Cl^(1-)=CH₃C₆H₄CH₂N(CH₃)2HCl(115031-97-5)
• EPA Substance Registry System: CH₃C₆H₄CH₂N(CH₃)2H⁽¹⁺⁾*Cl^(1-)=CH₃C₆H₄CH₂N(CH₃)2HCl(115031-97-5)

Safety Data

• Hazardous Substances Data: 115031-97-5(Hazardous Substances Data)

Upstream product

• 114762-90-2 Ir{C₆H₃(CH₂NMe₂)-2-CH₃-6}(COD) 
• 2767-47-7 dimethyltin dibromide 

Relevant articles and documents

Trapping of Three-Center Ir-Sn-X Intermediates in the Reaction of IrI(COD) with Organotin(IV) Halides. X-ray Structure of (COD)Ir(Br)SnMe2Br

The reaction of IrI(COD) with various organotin(IV) halides SnRR'X2 yields dinuclear adducts (COD)Ir(X)SnRR'X (X = Cl, R = R'= Me, Ph; X = R = Cl, R'= Me; X = Br, R = R'= Me, Br; X = Br, R = Me, R'= Ph).No reaction was observed with SnMe3Cl.The X-ray structure of (COD)Ir(Br)SnMe2Br was determined.Crystals are triclinic, space group P1, with unit-cell dimensions a=10.122(2) Angstroem , b=14.136(2) Angstroem, c=17.310(2) Angstroem, α=66.83(1) deg, β=69.35(1) deg, γ=73.64(2) deg.The crystal structure was solved with direct methods (Ir, Sn, Br) and subsequent difference Fourier techniques.Anisotropic blocked full-matrix least-squares refinement with 6605 observed reflections and 458 parameters converged at RF=0.0337.The molecule contains an Ir-Sn-Br triangle, which appears to be the result of an Sn-Br bond that is side-on coordinated to Ir.As such it can be envisaged as a unique trapped three-center intermediate in the concerted oxidative addition of a metal-halide bound to a square-planar metal d8 complex.