1-Butyl-3-methylimidazolium chloride

Base Information

• Chemical Name: 1-Butyl-3-methylimidazolium chloride
• CAS No.: 79917-90-1
• Molecular Formula: C8H15ClN2
• Molecular Weight: 174.673
• Hs Code.: 29332900
• European Community (EC) Number: 460-120-8,627-110-7
• UNII: 41PS77334A
• DSSTox Substance ID: DTXSID6031461
• Wikidata: Q5772857
• ChEMBL ID: CHEMBL3183408
• Mol file: 79917-90-1.mol

Synonyms:(bmim)Br;(bmim)Cl;1-butyl-3-methylimidazolium bromide;1-butyl-3-methylimidazolium chloride;1-butyl-3-methylimidazolium methylsulfate;1-n-butyl-3-methylimidazolium chloride;1H-imidazolium, 3-butyl-1-methyl-, chloride (1:1);3-butyl-1-methylimidazolium chloride;BmimCl;butylmethylimidazolium chloride

Chemical Property of 1-Butyl-3-methylimidazolium chloride

Chemical Property:

• Appearance/Colour: colorless to straw yellow liquid
• Melting Point: ~70 °C
• Flash Point: 192 °C
• PSA: 8.81000
• Density: d25 1.08 (dried)
• LogP: -1.88330
• Storage Temp.: Inert atmosphere,Room Temperature
• Sensitive.: Hygroscopic
• Solubility.: DMSO (Slightly), Methanol (Sparingly)
• Water Solubility.: Soluble in acetone, acetonitrile, hot ethyl acetate, isopropyl alcohol, methylene chloride and methanol. Insoluble in water, hex
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 174.0923762
• Heavy Atom Count: 11
• Complexity: 93.3

Purity/Quality:

99% ^*data from raw suppliers

1-Butyl-3-methylimidazolium Chloride ^*data from reagent suppliers

Safty Information:

• Pictogram(s): T,N
• Hazard Codes: T,N
• Statements: 25-36/37/38-51/53-36/38
• Safety Statements: 26-45-61-22

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Nitrogen Compounds -> Imidazoles
• Canonical SMILES: CCCCN1C=C[N+](=C1)C.[Cl-]
• Uses: 1-Butyl-3-methylimidazolium chloride can be used as a precursor for the preparation of other ionic liquids by anion metathesis. 1-Butyl-3-methylimidazolium chloride in combination with aluminium chloride forms an organoaluminate molten salt, which can act as an acidic catalyst for the alkylation of isobutane with 2-butene.

Technology Process of 1-Butyl-3-methylimidazolium chloride

There total 18 articles about 1-Butyl-3-methylimidazolium chloride 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-methyl-3-(n-butyl)imidazolium iodide (65039-05-6) → 1-butyl-3-methylimidazolium chloride (79917-90-1)

Guidance literature:

With Amberlist A-26 Cl(-) form; In methanol; Ionic liquid;

DOI:10.1039/b915743n

Reference yield: 100.0%

3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate (174501-64-5) → 1-butyl-3-methylimidazolium chloride (79917-90-1)

Guidance literature:

With Amberlyst A-26 (Cl^- form); In methanol;

DOI:10.3390/molecules17044007

Reference yield: 98.0%

n-Butyl chloride (109-69-3) → 1-butyl-3-methylimidazolium chloride (79917-90-1)

Guidance literature:

With 1-methyl-1H-imidazole;

upstream raw materials:

1-methyl-1H-imidazole

1-bromo-butane

n-Butyl chloride

1-butyl-3-methylimidazolium formate

Downstream raw materials:

1-butyl-3-methylimidazolium Tetrafluoroborate

3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate

1-(n-butyl)-3-methylimidazolium triflate

1-buthyl-3-methylimidazolium dicyanamide

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、 Astakhov, Alexander V.,Khazipov, Oleg V.,Chernenko, Andrey Yu.,Pasyukov, Dmitry V.,Kashin, Alexey S.,Gordeev, Evgeniy G.,Khrustalev, Victor N.,Chernyshev, Victor M.,Ananikov, Valentine P.. "A New Mode of Operation of Pd-NHC Systems Studied in a Catalytic Mizoroki-Heck Reaction". . p. 1981 - 1992. Retrieved 2017/06/14.