Bis(pentafluorophenyl)borane

Base Information

• Chemical Name: Bis(pentafluorophenyl)borane
• CAS No.: 165612-94-2
• Molecular Formula: C12H B F10
• Molecular Weight: 345.935
• DSSTox Substance ID: DTXSID90471205
• Wikidata: Q82299657
• Mol file: 165612-94-2.mol

Synonyms:165612-94-2;BIS(PENTAFLUOROPHENYL)BORANE;bis(perfluorophenyl)borane;Bis(2,3,4,5,6-pentafluorophenyl)boron;SCHEMBL340627;DTXSID90471205;KDRVTEPPBMBHHA-UHFFFAOYSA-N;CID 11727684;SY297143

Chemical Property of Bis(pentafluorophenyl)borane

Chemical Property:

• Boiling Point: 247.3±50.0 °C(Predicted)
• PSA: 0.00000
• LogP: 2.73260
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 2
• Exact Mass: 344.9933368
• Heavy Atom Count: 23
• Complexity: 345

Purity/Quality:

98%,99%, ^*data from raw suppliers

Bis(Pentafluorophenyl)Borane ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [B](C1=C(C(=C(C(=C1F)F)F)F)F)C2=C(C(=C(C(=C2F)F)F)F)F

Technology Process of Bis(pentafluorophenyl)borane

There total 11 articles about Bis(pentafluorophenyl)borane which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 96.0%

dimethylmonochlorosilane (1066-35-9) + bis(pentafluorophenyl)boron chloride (2720-03-8) → bis(pentafluorophenyl)borohydride (165612-94-2)

Guidance literature:

In neat (no solvent); stirring (room temp., 1 h); filtering; elem. anal.;

DOI:10.1002/anie.199508091

Reference yield: 59.9%

triethylsilane (617-86-7) + tris(pentafluorophenyl)borate (1109-15-5) → bis(pentafluorophenyl)borohydride (165612-94-2)

Guidance literature:

In toluene; at 50 ℃; for 120h; Sealed tube; Schlenk technique;

DOI:10.1039/d0dt00506a

Reference yield: 51.0%

triethylsilane (617-86-7) + tris(3,4,5-trifluorophenyl)borane (148892-97-1) → bis(pentafluorophenyl)borohydride (165612-94-2)

Guidance literature:

In toluene; at 60 ℃; for 120h; Schlenk technique; Inert atmosphere; Sealed tube;

DOI:10.1002/chem.201602860

upstream raw materials:

bis(pentafluorophenyl)boron chloride

tris(pentafluorophenyl)borate

dimethyl sulfide borane

bromopentafluorobenzene

Downstream raw materials:

bis(pentafluorophenyl)boronic acid, methyl ester

Ph₂P-C₂H₄-B(C₆F₅)2

pentamethylcyclopentadienyliridium(III) PMe₃ dihydride

bis(pentafluorophenyl)borylcyclohexane