681812-01-1

Basic information

• Product Name: Borane, dichloro[2,4,6-tris(trifluoromethyl)phenyl]-
• CAS NO: 681812-01-1
• Molecular Formula: C9H2BCl2F9
• Molecular Weight: 362.818
• Mol File: 681812-01-1.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Borane, dichloro[2,4,6-tris(trifluoromethyl)phenyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: Borane, dichloro[2,4,6-tris(trifluoromethyl)phenyl]-(681812-01-1)
• EPA Substance Registry System: Borane, dichloro[2,4,6-tris(trifluoromethyl)phenyl]-(681812-01-1)

Safety Data

• Hazardous Substances Data: 681812-01-1(Hazardous Substances Data)

Upstream product

• 444-40-6 2,4,6-tris(trilfuoromethyl)phenyllithium 
• 76-83-5 trityl chloride 
• 10294-34-5 boron trichloride 
• 729-81-7 1,3,5-tris(trifluoromethyl)benzene 

Downstream Products

• 179923-31-0 2,4,6-(F₃C)3C₆H₂B(OH)2 

Relevant articles and documents

The Bis(η6-benzene)lithium Cation: A Fundamental Main-Group Organometallic Species

The synthesis and characterization of the bis(η6-benzene)lithium cation, the benzene metallocene of the lightest metal, is reported. The boron compound FmesBCl2 [Fmes: 2,4,6-tris(trifluoromethyl)phenyl] reacted with three molar equivalents of the lithio-acetylene reagent Li-C≡C-Fmxyl [Fmxyl: 3,5-bis(trifluoromethyl)phenyl]. Subsequent crystallization from benzene gave the [bis(η6-benzene)Li]+ cation with the [{FmesB(-C≡C-Fmxyl)3}2Li]? anion. This parent [(arene)2Li]+ cation shows an eclipsed arrangement of the pair of benzene ligands at the central lithium cation with uniform carbon-lithium bond lengths. The corresponding [(η6-toluene)2Li]+ and [(η6-durene)2Li]+ containing salts were similarly prepared. The bis(arene)lithium cations were characterized by X-ray diffraction, by solid-state 7Li MAS NMR spectroscopy and their bonding features were analyzed by DFT calculations.