1-Hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

Base Information

• Chemical Name: 1-Hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
• CAS No.: 382150-50-7
• Molecular Formula: C12H19F6N3O4S2
• Molecular Weight: 447.42
• Hs Code.: 2935 90 90
• NSC Number: 747261
• UNII: 4X324RB62K
• DSSTox Substance ID: DTXSID4049290
• ChEMBL ID: CHEMBL593366
• Mol file: 382150-50-7.mol

Synonyms:382150-50-7;1-Hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide;1-Hexyl-3-methylimidazolium Bis(trifluoromethanesulfonyl)imide;3-Hexyl-1-methyl-1H-imidazol-3-ium bis((trifluoromethyl)sulfonyl)amide;NSC-747261;DTXSID4049290;bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium;MFCD08458931;bis((trifluoromethyl)sulfonyl)imide;HMIM BTI;SCHEMBL365793;CHEMBL593366;DTXCID9029146;4X324RB62K;Tox21_202649;NSC747261;AKOS040768070;NCGC00260197-01;BS-50463;CAS-382150-50-7;CS-0378390;H1423;C93472;1-Hexyl-3-methylimidazolium bis(trifluoromethylsufonyl)imide;1-hexyl-3-me-thylimidazolium bis(trifluoromethylsulfonyl)amide;1-Hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide,;1-methyl-3-hexylimidazolium bis(trifluoromethylsulfonyl)imide;1-hexyl-3-methyl-imidazol-3-ium;3-Hexyl-1-methyl-1H-imidazol-3-iumbis((trifluoromethyl)sulfonyl)amide;1H-Imidazolium, 3-hexyl-1-methyl-, salt with 1,1,1-trifluoro-N-[(trifluoromethyl)sulfonyl]methanesulfonamide (1:1)

Chemical Property of 1-Hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

Chemical Property:

• Melting Point: -9°C(lit.)
• Refractive Index: 1.4300 to 1.4340
• Flash Point: -9℃
• PSA: 93.85000
• Density: 1.37 g/cm3
• LogP: 5.11380
• Storage Temp.: Store below +30°C.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 11
• Rotatable Bond Count: 7
• Exact Mass: 447.07211742
• Heavy Atom Count: 27
• Complexity: 488

Purity/Quality:

99% ^*data from raw suppliers

bis(trifluoromethylsulfonyl)azanide;1-hexyl-3-methylimidazol-3-ium ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCCCN1C=C[N+](=C1)C.C(F)(F)(F)S(=O)(=O)[N-]S(=O)(=O)C(F)(F)F
• General Description: 1-Hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide ([HMIm][Tf₂N]) is an ionic liquid that exhibits significant changes in thermophysical properties when mixed with 1-octene, including reduced viscosity, increased diffusivity, and altered phase behavior. It forms biphasic systems with 1-octene, where 1-octene is fairly soluble in the ionic liquid phase, but the reverse solubility is minimal. The mixture shows negative excess molar volume and decreasing interfacial tension with higher temperatures and 1-octene concentrations. These properties make it relevant for applications involving extractions and reactions.

Technology Process of 1-Hexyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

There total 6 articles about 1-Hexyl-3-methylimidazolium 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: 97.0%

bis(trifluoromethane)sulfonimide lithium (90076-65-6) + 1-hexyl-3-methylimidazol-1-ium chloride (171058-17-6) → 1-hexyl-3-methylimidazolium bis-(trifluoromethanesulfonyl)amide (382150-50-7)

Guidance literature:

In water;

DOI:10.1021/je400726y

Reference yield: 96.0%

1-hexyl-3-methyl-1-imidazolium bromide (85100-78-3) + bis(trifluoromethane)sulfonimide lithium (90076-65-6) → 1-hexyl-3-methylimidazolium bis-(trifluoromethanesulfonyl)amide (382150-50-7)

Guidance literature:

In dichloromethane; water; Kinetics;

DOI:10.1002/anie.201206113

Reference yield:

1-Chlorohexane (544-10-5) → 1-hexyl-3-methylimidazolium bis-(trifluoromethanesulfonyl)amide (382150-50-7)

Guidance literature:

Multi-step reaction with 2 steps

1: 100 percent / toluene / 3 h / 112 - 113 °C

2: H₂O / 1 h / 100 °C

In water; toluene;

DOI:10.1002/chem.200600081

upstream raw materials:

1-hexyl-3-methyl-1-imidazolium bromide

bis(trifluoromethane)sulfonimide lithium

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

1-Chlorohexane

Downstream raw materials:

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

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