1-Methyl-3-octylimidazolium chloride

Base Information

• Chemical Name: 1-Methyl-3-octylimidazolium chloride
• CAS No.: 64697-40-1
• Molecular Formula: C12H23ClN2
• Molecular Weight: 230.781
• Hs Code.: 29339900
• European Community (EC) Number: 629-637-8
• NSC Number: 747264
• UNII: 7R6C755MN6
• DSSTox Substance ID: DTXSID5047873
• Wikidata: Q27131046
• ChEMBL ID: CHEMBL593110
• Mol file: 64697-40-1.mol

Synonyms:1-methyl-3-octylimidazolium chloride

Chemical Property of 1-Methyl-3-octylimidazolium chloride

Chemical Property:

• Appearance/Colour: clear pale yellow to yellow viscous liquid
• Melting Point: 12°C(lit.)
• Refractive Index: n20/D 1.51
• PSA: 8.81000
• Density: 1.01 g/cm³
• LogP: -0.32290
• Storage Temp.: Sealed in dry,Room Temperature
• Sensitive.: Moisture Sensitive
• Water Solubility.: Slightly soluble in water.
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 7
• Exact Mass: 230.1549764
• Heavy Atom Count: 15
• Complexity: 136

Purity/Quality:

97% ^*data from raw suppliers

1-Methyl-3-octylimidazolium chloride ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCCCCN1C=C[N+](=C1)C.[Cl-]
• Uses: 1-Methyl-3-octylimidazolium chloride >=97.0% (HPLC) is a useful research chemical. Role of 1-methyl-3-octylimidazolium chloride in the micellization behavior of amphiphilic drug amitriptyline hydrochloride.

Technology Process of 1-Methyl-3-octylimidazolium chloride

There total 3 articles about 1-Methyl-3-octylimidazolium 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) + n-chlorooctane (111-85-3) → 1-methyl-3-octylimidazol-3-ium chloride (64697-40-1)

Guidance literature:

In neat (no solvent); at 80 ℃; for 24h; Inert atmosphere;

DOI:10.1039/d0gc03497e

Reference yield:

1-methyl-1H-imidazole (616-47-7) + 1-Chlorohexane (544-10-5) → 1-methyl-3-octylimidazol-3-ium chloride (64697-40-1)

Guidance literature:

at 100 ℃; Inert atmosphere;

DOI:10.1039/c3nj40759d

Reference yield:

→ 1-methyl-3-octylimidazol-3-ium chloride (64697-40-1)

Guidance literature:

upstream raw materials:

1-methyl-1H-imidazole

n-chlorooctane

1-Chlorohexane

Downstream raw materials:

n-chlorooctane

1-octyl-3-methylimidazolium bis(trifluoromethanesulfonyl)amide

1-octyl-3-methyl-1H-imidazol-3-ium trifluoromethansulfonate

1-methyl-3-octyl-imidazolium (4-chloro-2-methylphenoxy)acetate