681812-02-2

Basic information

• Product Name: Borane, fluorobis[2,4,6-tris(trifluoromethyl)phenyl]-
• CAS NO: 681812-02-2
• Molecular Formula: C18H4BF19
• Molecular Weight: 592.01
• Mol File: 681812-02-2.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: Borane, fluorobis[2,4,6-tris(trifluoromethyl)phenyl]-(CAS DataBase Reference)
• NIST Chemistry Reference: Borane, fluorobis[2,4,6-tris(trifluoromethyl)phenyl]-(681812-02-2)
• EPA Substance Registry System: Borane, fluorobis[2,4,6-tris(trifluoromethyl)phenyl]-(681812-02-2)

Safety Data

• Hazardous Substances Data: 681812-02-2(Hazardous Substances Data)

Upstream product

• 60-29-7 diethyl ether 
• 729-81-7 1,3,5-tris(trifluoromethyl)benzene 
• 444-40-6 2,4,6-tris(trilfuoromethyl)phenyllithium 
• 10294-34-5 boron trichloride 

Downstream Products

• 1355952-74-7 N-{bis[2,4,6-tris(trifluoromethyl)phenyl]boryl}carbazole 
• 1416450-98-0 N-(dimesitylboryl)-2,5-di(2-thienyl)pyrrole 
• 1357358-41-8 bis[2,4,6-tris(trifluoromethyl)phenyl]borane 
• 1357358-42-9 bis(2,4,6-tris(trifluoromethyl)phenyl)borane 
• 192823-38-4 bis-(2,4,6-tris-(trifluoromethyl)-phenyl)-boronic acid 

Relevant articles and documents

Synthesis and characterisation of some new boron compounds containing the 2,4,6-(CF3)3C6 H2 (fluoromes = Ar), 2,6-(CF3)2C6H3 (fluoroxyl = Ar′), or 2,4-(CF3)2 C6H3 (Ar″) ligands

Several new boron compounds containing the 2,4,6- (CF3)3C6H2 (fluoromes = Ar), 2,6-(CF3)2C6H3 (fluoroxyl = Ar′) or 2,4-(CF3)2C6H3 (Ar″) ligands have been synthesised from reactions of ArLi, Ar′Li or Ar″Li with BCl3, and characterised by 19F and 11B NMR spectroscopy. Chlorine/fluorine exchanges are evident in these reactions. The crystal and molecular structures of Ar2BF, Ar″3B, Ar2B(OH), Ar′B(OH)2 and Mes2BF (Mes = 2,4,6-Me3C6H2) have been determined by single crystal X-ray diffraction. Ar″3B represents the first example of a compound containing three Ar″ ligands to be structurally characterised. Molecular geometries and GIAO-NMR shifts for several new boron compounds have been calculated at the HF/6-31G* level of theory, and compared with the available experimental results.