1-Ethyl-3-methylimidazolium hexafluorophosphate

Base Information

• Chemical Name: 1-Ethyl-3-methylimidazolium hexafluorophosphate
• CAS No.: 155371-19-0
• Molecular Formula: C6H11N2^.PF6
• Molecular Weight: 256.131
• Hs Code.: 29332900
• European Community (EC) Number: 671-175-4
• DSSTox Substance ID: DTXSID8047921
• ChEMBL ID: CHEMBL3187625
• Mol file: 155371-19-0.mol

Synonyms:1-Ethyl-3-methyl-1H-imidazol-3-ium hexafluorophosphate;

Chemical Property of 1-Ethyl-3-methylimidazolium hexafluorophosphate

Chemical Property:

• Melting Point: 58-62 °C(lit.)
• PSA: 22.40000
• Density: 1.48 g/cm3
• LogP: 3.71490
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: very faint turbidity in hot Water
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 1
• Exact Mass: 256.05640433
• Heavy Atom Count: 15
• Complexity: 136

Purity/Quality:

99% ^*data from raw suppliers

1-Ethyl-3-methylimidazolium hexafluorophosphate ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R36/38:Irritating to eyes and skin.
• Hazard Codes: R36/38:Irritating to eyes and skin.
• Statements: 36/37/38
• Safety Statements: 22-24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F
• Uses: 1-Ethyl-3-methylimidazolium hexafluorophosphate Ionic liquids (ILs) are molten salts with melting points lower than 100 °C. They usually consist of pair of organic cation and anion. ILs exhibit unique properties such as non-volatility, high thermal stability, and high ionic conductivity and find applications as electrolytes in lithium/sodium ion batteries and dye-sensitized solar cells. They are also used as media for synthesis of conducting polymers and intercalation electrode materials.

Technology Process of 1-Ethyl-3-methylimidazolium hexafluorophosphate

There total 6 articles about 1-Ethyl-3-methylimidazolium 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: 92.0%

1-methyl-1H-imidazole (616-47-7) + ethyl bromide (74-96-4) → 1-ethyl-3-methylimidazolium hexafluorophosphate (155371-19-0)

Guidance literature:

With sodium hexaflorophosphate; at 70 ℃; for 336h;

Reference yield: 90.0%

3-ethyl-1-methyl-1H-imidazol-3-ium bromide (65039-08-9) → 1-ethyl-3-methylimidazolium hexafluorophosphate (155371-19-0)

Guidance literature:

With potassium hexafluorophosphate; In dichloromethane; water; at 25 ℃; for 5h;

DOI:10.1002/chem.201504523

Reference yield: 82.0%

1-methyl-1H-imidazole (616-47-7) + diethyl sulfate (64-67-5) → 1-ethyl-3-methylimidazolium hexafluorophosphate (155371-19-0)

Guidance literature:

1-methyl-1H-imidazole; diethyl sulfate; for 0.25h;

With sodium hexaflorophosphate; In water;

upstream raw materials:

1-methyl-1H-imidazole

ethyl bromide

diethyl sulfate

3-ethyl-1-methyl-1H-imidazol-3-ium bromide

Downstream raw materials:

1-ethyl-3-methyl-imidazolium tris(pentafluoroethyl)trifluorophosphate

phosphorus pentafluoride

diethyl ether

1-fluoroethane

Refernces

• 1、 Stolarska, Olga,Soto, Ana,Rodríguez, Héctor,Smiglak, Marcin. "Properties modification by eutectic formation in mixtures of ionic liquids". . p. 22178 - 22187. Retrieved 2015.
• 2、 Assenine, Mohammed Amin,Brandán, Silvia Antonia,Bresson, Serge,Haddad, Boumediene,Paolone, Annalisa,Villemin, Didier. "Bidentate cation-anion coordination in the ionic liquid 1-ethyl-3-methylimidazolium hexafluorophosphate supported by vibrational spectra and NBO, AIM and SQMFF calculations". . . Retrieved 2020.
• 3、 Bl?sing, Kevin,Ellinger, Stefan,Harloff, J?rg,Schulz, Axel,Sievert, Katharina,T?schler, Christoph,Villinger, Alexander,Zurt?schler, Cornelia. "Lewis Acid Catalyzed Synthesis of Cyanidophosphates". supporting information. p. 4175 - 4188. Retrieved 2016/03/16.