1-Hexyl-3-methylimidazolium chloride

Base Information

• Chemical Name: 1-Hexyl-3-methylimidazolium chloride
• CAS No.: 171058-17-6
• Molecular Formula: C10H19ClN2
• Molecular Weight: 202.727
• Hs Code.: 29339900
• European Community (EC) Number: 690-853-0
• DSSTox Substance ID: DTXSID1047948
• Wikidata: Q27131044
• Metabolomics Workbench ID: 61603
• ChEMBL ID: CHEMBL3183471
• Mol file: 171058-17-6.mol

Synonyms:1-Hexyl-3-methylimidazolium chloride;171058-17-6;[hmim]cl;1-hexyl-3-methyl-1H-imidazol-3-ium chloride;1-hexyl-3-methylimidazol-3-ium;chloride;DTXSID1047948;CHEBI:61340;MFCD03093289;HMIMCl;1-Hexyl-3-methylimidazoliumchloride;SCHEMBL194275;CHEMBL3183471;DTXCID1027924;NKRASMXHSQKLHA-UHFFFAOYSA-M;Tox21_200718;AC7604;1-hexyl-3-methyl Imidazolium Chloride;AKOS015833156;AKOS015901549;CS-W015487;NCGC00258272-01;AS-62615;SY016019;CAS-171058-17-6;FT-0689134;H1097;A881957;Q-102683;Q27131044;1-Hexyl-3-methylimidazolium chloride, >=97.0% (HPLC);1-Hexyl-3-methylimidazolium chloride, dry, >=98.5% (HPLC)

Chemical Property of 1-Hexyl-3-methylimidazolium chloride

Chemical Property:

• Appearance/Colour: Clear yellow-orange liquid
• Melting Point: -85 °C
• Refractive Index: 1.514-1.518
• PSA: 8.81000
• Density: 1.0337 g/cm³
• LogP: -1.10310
• Storage Temp.: Inert atmosphere,Room Temperature
• Water Solubility.: Insoluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 202.1236763
• Heavy Atom Count: 13
• Complexity: 114

Purity/Quality:

99% ^*data from raw suppliers

1-Hexyl-3-methylimidazoliumChlorideDry ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 36/37/38-22
• Safety Statements: 23-24/25-37/39-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCN1C=C[N+](=C1)C.[Cl-]
• Uses: 1-n-Hexyl-3-methylimidazolium chloride, is used as an important raw material and intermediate used in organic Synthesis, pharmaceuticals, agrochemicals and dyestuff.

Technology Process of 1-Hexyl-3-methylimidazolium chloride

There total 3 articles about 1-Hexyl-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-1H-imidazole (616-47-7) + 1-Chlorohexane (544-10-5) → 1-hexyl-3-methylimidazol-1-ium chloride (171058-17-6)

Guidance literature:

In toluene; at 112 - 113 ℃; for 3h;

DOI:10.1002/chem.200600081

Reference yield:

1-hexyl-3-methyl-1-imidazolium bromide (85100-78-3) → 1-hexyl-3-methylimidazol-1-ium chloride (171058-17-6)

Guidance literature:

With hydrogenchloride; In acetone; at 40 ℃; for 10h;

DOI:10.1016/j.molliq.2020.114304

Reference yield:

→ 1-hexyl-3-methylimidazol-1-ium chloride (171058-17-6)

Guidance literature:

upstream raw materials:

1-methyl-1H-imidazole

1-Chlorohexane

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

Downstream raw materials:

1-hexyl-3-methylimidazolium tetrafluoroborate

1-hexyl-3-methylimidazolium thiocyanate

1-hexyl-3-methylimidazolium hydrogen sulphate

C₁₀H₁₉N₂⁽¹⁺⁾*C₁₃H₁₇O₂^(1-)

Refernces

• 1、 Kamakshi,Reddy, Boreddy S.R.. "An efficient, eco-friendly, one-pot protocol for the synthesis of 2-oxazolines promoted by ionic liquid/indium chloride". . p. 463 - 467. Retrieved 2006.
• 2、 Frez, Clifford,Diebold, Gerald J.,Tran, Chieu D.,Yu, Shaofang. "Determination of thermal diffusivities, thermal conductivities, and sound speeds of room-temperature ionic liquids by the transient grating technique". . p. 1250 - 1255. Retrieved 2006.
• 3、 Iguchi, Masayuki,Hiraga, Yuya,Sato, Yoshiyuki,Aida, Taku Michael,Watanabe, Masaru,Smith Jr., Richard L.. "Measurement of high-pressure densities and atmospheric viscosities of ionic liquids: 1-hexyl-3-methylimidazolium Bis(trifluoromethylsulfonyl)imide and 1-Hexyl-3-methylimidazolium chloride". . p. 709 - 717. Retrieved 2014.
• 4、 Li, Qiu-Ping,Yan, Bing. "Photophysical properties of lanthanide (Eu 3+, Tb 3+) hybrid soft gels of double functional linker of ionic liquid-modified silane". . p. 22 - 28. Retrieved 2014.
• 5、 Yan, Zhi-Yuan,Jia, Li-Ping,Yan, Bing. "Hydrogels dispersed by doped rare earth fluoride nanocrystals: Ionic liquid dispersion and down/up-conversion luminescence". . p. 732 - 736. Retrieved 2014.
• 6、 Yoshida, Yukihiro,Fujii, Junichi,Saito, Gunzi,Hiramatsu, Takaaki,Sato, Naoki. "Dicyanoaurate(I) salts with 1-alkyl-3-methylimidazolium: Luminescent properties and room-temperature liquid forming". . p. 724 - 727. Retrieved 2006.
• 7、 Pitula, Slawomir,Mudring, Anja-Verena. "Synthesis, structure, and physico-optical properties of manganate(II)-based ionic liquids". . p. 3355 - 3365. Retrieved 2010.
• 8、 Namboodiri, Vasudevan V,Varma, Rajender S. "Solvent-free sonochemical preparation of ionic liquids.". . p. 3161 - 3163. Retrieved 2002.
• 9、 Carson, Louise,Chau, Peter K. W.,Earle, Martyn J.,Gilea, Manuela A.,Gilmore, Brendan F.,Gorman, Sean P.,McCann, Maureen T.,Seddon, Kenneth R.. "Antibiofilm activities of 1-alkyl-3-methylimidazolium chloride ionic liquids". . p. 492 - 497. Retrieved 2009.
• 10、 Li, Xiaohua,Zhou, Qing,Lu, Xingmei,Zhang, Suojiang. "Densities and viscosities of binary mixtures of magnetic ionic liquids 1-alkyl-3-methylimidazolium tetrachloroferrate with ethyl acetate at temperatures (293.15 to 323.15) K". . p. 285 - 292. Retrieved 2017.