1-Methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide

Base Information

• Chemical Name: 1-Methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide
• CAS No.: 178631-04-4
• Molecular Formula: C14H23O4N3S2F6
• Molecular Weight: 475.477
• European Community (EC) Number: 801-466-5
• UNII: L7WD72J5RP
• ChEMBL ID: CHEMBL3187100
• DSSTox Substance ID: DTXSID0047955
• Mol file: 178631-04-4.mol

Synonyms:178631-04-4;1-Methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide;1-Methyl-3-octyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide;1-Methyl-3-n-octylimidazolium bis(trifluoromethylsulfonyl)imide;1-Methyl-3-n-octylimidazolium Bis(trifluoromethanesulfonyl)imide;3-METHYL-1-OCTYLIMIDAZOLIUM BIS(TRIFLUOROMETHYLSULFONYL)IMIDE;DTXSID0047955;bis(trifluoromethylsulfonyl)azanide;1-methyl-3-octylimidazol-1-ium;LECQXINNQGHJBM-UHFFFAOYSA-N;L7WD72J5RP;SCHEMBL926641;CHEMBL3187100;DTXCID0027931;Tox21_200842;NCGC00258396-01;BS-48080;CAS-178631-04-4;CS-0378412;M3039;F71500;A917566;3-Methyl-1-octyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide;1H-Imidazolium, 1-methyl-3-octyl-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1);1H-Imidazolium,1-methyl-3-octyl-,saltwith1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide(1:1);556833-35-3

Chemical Property of 1-Methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide

Chemical Property:

• Melting Point: -9.19 °C
• Refractive Index: 1.4330 to 1.4370
• PSA: 93.85000
• Density: 1.31 g/cm3
• LogP: 5.89400
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 9
• Exact Mass: 475.10341754
• Heavy Atom Count: 29
• Complexity: 510

Purity/Quality:

97% ^*data from raw suppliers

1-Methyl-3-N-octylimidazoliumBis(trifluoromethylsulfonyl)imide ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• Uses: 1-Methyl-3-N-octylimidazolium Bis(trifluoromethylsulfonyl)imide is an Ionic liquid; used in preparation method of chemical polishing liquid for Potassium Dihydrogen Phosphate crystal and polishing method.

Technology Process of 1-Methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide

There total 10 articles about 1-Methyl-3-octylimidazolium bis(trifluoromethylsulfonyl)imide 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%

bis(trifluoromethane)sulfonimide lithium (90076-65-6) + 1-octyl-3-methyl-imidazolium bromide → 1-octyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide (178631-04-4)

Guidance literature:

In dichloromethane; water; Kinetics;

DOI:10.1002/anie.201206113

Reference yield: 94.0%

1-methyl-1H-imidazole (616-47-7) + 1-bromo-octane (111-83-1) + bis(trifluoromethane)sulfonimide lithium (90076-65-6) → 1-octyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide (178631-04-4)

Guidance literature:

at 140 ℃; for 0.416667h; microwave irradiation; sonication;

DOI:10.1071/CH07309

Reference yield: 90.0%

bis(trifluoromethane)sulfonimide lithium (90076-65-6) + 1-methyl-3-octylimidazol-3-ium chloride (64697-40-1) → 1-octyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide (178631-04-4)

Guidance literature:

In water; at 20 ℃; for 24h;

DOI:10.1021/jp2075572

upstream raw materials:

bis(trifluoromethane)sulfonimide lithium

1-methyl-3-octylimidazol-3-ium chloride

potassium bis(trifluoromethylsulfonyl)imide

1-methyl-1H-imidazole

Downstream raw materials:

C₄₆H₅₄CsF₆NO₁₂S₂