404028-86-0

Basic information

• Product Name: (C₅(CH₃)5)(C₅(CH₃)4CH₂C₆F₄)ZrF
• CAS NO: 404028-86-0
• Molecular Weight: 527.732
• Mol File: 404028-86-0.mol

Chemical Properties

• CAS DataBase Reference: (C₅(CH₃)5)(C₅(CH₃)4CH₂C₆F₄)ZrF(CAS DataBase Reference)
• NIST Chemistry Reference: (C₅(CH₃)5)(C₅(CH₃)4CH₂C₆F₄)ZrF(404028-86-0)
• EPA Substance Registry System: (C₅(CH₃)5)(C₅(CH₃)4CH₂C₆F₄)ZrF(404028-86-0)

Safety Data

• Hazardous Substances Data: 404028-86-0(Hazardous Substances Data)

Upstream product

• 301195-57-3 (η5-pentamethylcyclopentadienyl)Zr(C6F5)H 

Relevant articles and documents

Formation of tetrafluorobenzyne by β-fluoride elimination in zirconium-perfluorophenyl complexes

Cp*2ZrH2 (Cp* = pentamethylcyclopentadienyl) and Hg(C6F5)2 react in pentane to form Cp*2Zr(C6F2)H in high yield at room temperature. Cp*2Zr(C6F5)H reacts intramolecularly at 120 °C under an atmosphere of H2 to give Cp*2Zr(o-C6F4H)F quantitatively by β-fluoride elimination and subsequent insertion of tetrafluorobenzyne into the Zr - H bond. Under vacuum, Cp*2Zr(C6F5)H decomposes into a mixture of Cp*2Zr(o-C6F4H)F and the ring methyl C - H activated product, Cp*(Fv)Zr(C6F5) (Fv = tetramethylfulvene). Upon further heating, Cp*(Fv)Zr(C6F5) reacts to form the novel complex Cp*(C5Me4CH2(C6F4)) ZrF, formed by β-fluoride elimination and subsequent insertion of tetrafluorobenzyne into the Zr - CH2 bond.