1-Butyl-2,3-dimethylimidazolium hexafluorophosphate

Base Information

• Chemical Name: 1-Butyl-2,3-dimethylimidazolium hexafluorophosphate
• CAS No.: 227617-70-1
• Molecular Formula: C9H17F6N2P
• Molecular Weight: 298.21
• Hs Code.: 29332900
• European Community (EC) Number: 629-013-5
• DSSTox Substance ID: DTXSID0047907
• ChEMBL ID: CHEMBL3187223
• Mol file: 227617-70-1.mol

Synonyms:227617-70-1;1-Butyl-2,3-dimethylimidazolium hexafluorophosphate;1-Butyl-2,3-dimethyl-1H-imidazol-3-ium hexafluorophosphate(V);1,2-Dimethyl-3-butylimidazolium hexafluoro phosphate;1-butyl-2,3-dimethylimidazol-3-ium;hexafluorophosphate;1-Butyl-2,3-dimethyl-3-imidazolium Hexafluorophosphate(V);DTXSID0047907;MFCD03790877;3-(But-1-yl)-1,2-dimethyl-1H-imidazol-3-ium hexafluorophosphate;BDiMIMPF6;CHEMBL3187223;DTXCID7027883;SCHEMBL20490655;Tox21_200584;AC8892;ZB1646;AKOS015833793;AKOS015898019;NCGC00248747-01;NCGC00258138-01;SY074310;B2474;CAS-227617-70-1;A878450;1-butyl-2,3-dimethyl-imidazolium hexafluorophosphate;Q-102670;1-Butyl-2,3-dimethyl-1H-imidazol-3-iumhexafluorophosphate(V);3-butyl-1,2-dimethyl-1H-imidazol-3-ium;hexafluoro-??-phosphanuide

Chemical Property of 1-Butyl-2,3-dimethylimidazolium hexafluorophosphate

Chemical Property:

• Melting Point: 50 °C
• Refractive Index: n20/D 1.423
• PSA: 22.40000
• Density: 1.345 g/mL at 20 °C(lit.)
• LogP: 4.80350
• Water Solubility.: Insoluble in water
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 3
• Exact Mass: 298.10335452
• Heavy Atom Count: 18
• Complexity: 177

Purity/Quality:

99.5% ^*data from raw suppliers

1-Butyl-2,3-dimethyl-1H-imidazol-3-iumhexafluorophosphate(V) ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCN1C=C[N+](=C1C)C.F[P-](F)(F)(F)(F)F
• Uses: 1-Butyl-2,3-dimethylimidazolium hexafluorophosphate is an ionic liquid that can be used:As a green solvent in the separation of endosulfan from water.As a binder in the preparation of carbon paste electrode, applicable in the detection of adenosine-5′-triphosphate in injection samples.As a component of the biphasic medium along with toluene, used in norbornene ring-opening metathesis polymerization.

Technology Process of 1-Butyl-2,3-dimethylimidazolium hexafluorophosphate

There total 5 articles about 1-Butyl-2,3-dimethylimidazolium hexafluorophosphate 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-butyl-2,3-dimethylimidazolium bromide → 1-butyl-2,3-dimethylimidazolium hexafluorophosphate (227617-70-1)

Guidance literature:

With Amberlyst A-26 (PF₆^- form); In acetonitrile;

DOI:10.1039/c0cc05350c

Reference yield: 93.0%

1,2-dimethyl-1H-imidazole (1739-84-0) + 1-bromo-butane (109-65-9) → 1-butyl-2,3-dimethylimidazolium hexafluorophosphate (227617-70-1)

Guidance literature:

With potassium hexafluorophosphate; 1-n-butyl-2,3-dimethylimidazolium hexafluorophosphate; at 80 ℃; for 15h;

DOI:10.1055/s-2003-42420

Reference yield: 89.0%

bis(trifluoromethane)sulfonimide lithium (90076-65-6) + 3-butyl-1,2-dimethylimidazolium chloride (98892-75-2) → 1-butyl-2,3-dimethylimidazolium hexafluorophosphate (227617-70-1)

Guidance literature:

In dichloromethane; for 24h; Inert atmosphere;

DOI:10.1039/c7dt02372c

upstream raw materials:

1,2-dimethyl-1H-imidazole

1-bromo-butane

3-butyl-1,2-dimethylimidazolium chloride

bis(trifluoromethane)sulfonimide lithium

Refernces

• 1、 Henderson, Wesley A.,Young Jr., Victor G.,Fox, Douglas M.,De Long, Hugh C.,Trulove, Paul C.. "Alkyl vs. alkoxy chains on ionic liquid cations". . p. 3708 - 3710. Retrieved 2006.
• 2、 Alcalde, Ermitas,Dinares, Immaculada,Ibanez, Anna,Mesquida, Neus. "A simple halide-to-anion exchange method for heteroaromatic salts and ionic liquids". experimental part. p. 4007 - 4027. Retrieved 2012/07/28.