1-Hexyl-3-methylimidazolium hexafluorophosphate

Base Information

• Chemical Name: 1-Hexyl-3-methylimidazolium hexafluorophosphate
• CAS No.: 304680-35-1
• Molecular Formula: C10H19N2^.PF6
• Molecular Weight: 312.238
• Hs Code.: 29332900
• European Community (EC) Number: 629-544-2
• DSSTox Substance ID: DTXSID6047949
• ChEMBL ID: CHEMBL3188867
• Mol file: 304680-35-1.mol

Synonyms:1-hexyl-3-methylimidazolium;1-hexyl-3-methylimidazolium hexafluorophosphate;C6MIM compound;hmim cpd

Chemical Property of 1-Hexyl-3-methylimidazolium hexafluorophosphate

Chemical Property:

• Appearance/Colour: Clear colorless to orange liquid
• Melting Point: -73.5 °C
• Refractive Index: n20/D 1.419
• PSA: 22.40000
• Density: 1.3045
• LogP: 5.27530
• Storage Temp.: Inert atmosphere,Room Temperature
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 312.11900458
• Heavy Atom Count: 19
• Complexity: 177

Purity/Quality:

99% ^*data from raw suppliers

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

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-37/39

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCN1C=C[N+](=C1)C.F[P-](F)(F)(F)(F)F
• Uses: 1-Hexyl-3-methylimidazolium Hexafluorophosphate is a useful research chemical. HMIMPF6 can be used as a chelate extraction solvent for divalent metal cations using 4,4,4-trifluoro-1-(2-thienyl)-1,3-butanedione (thenoyltrifluoroacetone, Htta) as an extractant.

Technology Process of 1-Hexyl-3-methylimidazolium hexafluorophosphate

There total 8 articles about 1-Hexyl-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: 96.0%

1-methyl-1H-imidazole (616-47-7) + 1-bromo-hexane (111-25-1) → 1-hexyl-3-methylimidazolium hexafluorophosphate (304680-35-1)

Guidance literature:

With potassium hexafluorophosphate; at 88 ℃; for 3h; sonification;

DOI:10.1055/s-2007-984881

Reference yield: 95.0%

1-methyl-1H-imidazole (616-47-7) + 1-Chlorohexane (544-10-5) → 1-hexyl-3-methylimidazolium hexafluorophosphate (304680-35-1)

Guidance literature:

1-methyl-1H-imidazole; 1-Chlorohexane; at 70 ℃; for 48h;

With hexafluorophosphoric acid; water; for 12h;

DOI:10.1016/j.tetlet.2003.10.036

Reference yield: 50.0%

1-hexyl-3-methyl-1-imidazolium bromide (85100-78-3) → 1-hexyl-3-methylimidazolium hexafluorophosphate (304680-35-1)

Guidance literature:

With hexafluorophosphoric acid; In water; at 20 ℃; for 4h;

upstream raw materials:

1-methyl-1H-imidazole

1-bromo-hexane

1-Chlorohexane

1-hexyl-3-methylimidazol-1-ium chloride

Downstream raw materials:

1-hexyl-3-methylimidazolium 2,4,6-trinitrophenolate

Refernces

• 1、 Yohannes, Alula,Li, Jing,Yao, Shun. "Various metal organic frameworks combined with imidazolium, quinolinum and benzothiazolium ionic liquids for removal of three antibiotics from water". . . Retrieved 2020/10/02.
• 2、 Shirota, Hideaki,Kakinuma, Shohei,Takahashi, Kotaro,Tago, Akito,Jeong, Hocheon,Fujisawa, Tomotsumi. "Ultrafast dynamics in aromatic cation based ionic liquids: A femtosecond raman-induced kerr effect spectroscopic study". supporting information. p. 1106 - 1128. Retrieved 2016/10/11.