1-Butyl-3-methylimidazolium tetrafluoroborate

Base Information

• Chemical Name: 1-Butyl-3-methylimidazolium tetrafluoroborate
• CAS No.: 174501-65-6
• Molecular Formula: C8H15N2^.BF4
• Molecular Weight: 226.025
• Hs Code.: 2933 29 90
• European Community (EC) Number: 638-831-1
• UNII: T2TVZ2306T
• DSSTox Substance ID: DTXSID5049231
• Wikidata: Q6143623
• ChEMBL ID: CHEMBL3186788
• Mol file: 174501-65-6.mol

Synonyms:1-butyl-3-methylimidazolium tetrafluoroborate;B-MI-TFB;BMIM-BF4

Chemical Property of 1-Butyl-3-methylimidazolium tetrafluoroborate

Chemical Property:

• Appearance/Colour: Clear yellowish-orange oil
• Melting Point: -71 °C
• Refractive Index: n20/D 1.52
• Flash Point: 288 °C
• PSA: 8.81000
• Density: 1.21 g/mL at 20 °C(lit.)
• LogP: 2.41270
• Storage Temp.: Store below +30°C.
• Water Solubility.: Miscible with acetone, acetonitrile, ethyl acetate, isopropyl alcohol and methylene chloride. Immiscible with hexane, toluene an
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 226.1264413
• Heavy Atom Count: 15
• Complexity: 112

Purity/Quality:

99.0% ^*data from raw suppliers

1-Butyl-3- ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn,Xi
• Hazard Codes: Xn,Xi,N,T
• Statements: 22-36/37/38-51/53-36/38-25
• Safety Statements: 37/39-26-61-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: [B-](F)(F)(F)F.CCCCN1C=C[N+](=C1)C
• description: 1-Butyl-3-methylimidazolium hexafluorophosphate, also known as BMIM-PF6, is a viscous, colourless, hydrophobic and non-water-soluble ionic liquid with a melting point[1] of -8 °C. Together with 1-butyl-3-methylimidazolium tetrafluoroborate, BMIM-BF4, it is one of the most widely studied ionic liquids. It is known to very slowly decompose in the presence of water.
• Uses: 1-n-Butyl-3-methylimidazolium tetrafluoroborate is an ionic liquid used for various reactions such as hydrogenations, asymmetric hydrogenations proceed in higher enantioselectivity than in homogeneous phase. It is also used in Suzuki cross-coupling. Solvent for organic reactions. 1-Butyl-3-methylimidazolium tetrafluoroborate may be used as an extractant for the removal of dibenzothiophene (DBS) from liquid fuels via extractive desulfurization. 1-Butyl-3-methylimidazolium tetrafluoroborate ([BMIM]BF4) can be used:?? As a reaction medium for the preparation NH4TiOF3 mesocrystals, which are converted into TiO2 based nanostructures.???????? As a working fluid along with 2,2,2-trifluoroethanol in absorption heat pumps or chillers.??????? As an electrolyte in lithium-ion batteries and double layer capacitors.
• Physical properties: Clear yellowish-orange oil

Technology Process of 1-Butyl-3-methylimidazolium tetrafluoroborate

There total 42 articles about 1-Butyl-3-methylimidazolium tetrafluoroborate 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: 100.0%

1-n-butyl-3-methylimidazolim bromide (85100-77-2) → 1-butyl-3-methylimidazolium Tetrafluoroborate (174501-65-6)

Guidance literature:

With ammonium tetrafluoroborate; In water; at 20 ℃; for 2h;

DOI:10.1002/chem.201000302

Reference yield: 100.0%

1-butyl-3-methylimidazolium chloride (79917-90-1) → 1-butyl-3-methylimidazolium Tetrafluoroborate (174501-65-6)

Guidance literature:

With triethylsulfonium tetrafluoroborate; In dichloromethane; at 60 - 70 ℃; for 672h; Product distribution / selectivity;

Reference yield: 100.0%

1-methyl-3-(n-butyl)imidazolium iodide (65039-05-6) → 1-butyl-3-methylimidazolium Tetrafluoroborate (174501-65-6)

Guidance literature:

With Amberlist A-26 BF₄(-) form; In methanol; Ionic liquid;

DOI:10.1039/b915743n

upstream raw materials:

1-butyl-3-methylimidazolium chloride

1-methyl-1H-imidazole

formaldehyd

Glyoxal

Downstream raw materials:

1-Butylimidazole

(n-butylthio)benzene

methyl-phenyl-thioether

(n-decylthio)benzene