1-Butyl-3-methylimidazolium chloride Chemical Properties

Melting point:

~70 °C

Density 

d25 1.08 (dried)

Flash point:

192 °C

storage temp. 

Inert atmosphere,Room Temperature

solubility 

DMSO (Slightly), Methanol (Sparingly)

form 

Mass

color 

Cream to yellow

Water Solubility 

Soluble in acetone, acetonitrile, hot ethyl acetate, isopropyl alcohol, methylene chloride and methanol. Insoluble in water, hexane and toluene,

Sensitive 

Hygroscopic

BRN 

6449277

Stability:

hygroscopic

InChI

InChI=1S/C8H15N2.ClH/c1-3-4-5-10-7-6-9(2)8-10;/h6-8H,3-5H2,1-2H3;1H/q+1;/p-1

InChIKey

FHDQNOXQSTVAIC-UHFFFAOYSA-M

SMILES

N1(CCCC)C=C[N+](C)=C1.[Cl-]

CAS DataBase Reference

79917-90-1(CAS DataBase Reference)

EPA Substance Registry System

1H-Imidazolium, 3-butyl-1-methyl-, chloride (1:1) (79917-90-1)

Safety Information

Hazard Codes 

T,N

Risk Statements 

25-36/37/38-51/53-36/38

Safety Statements 

26-45-61-22

RIDADR 

UN 2811 6.1/PG 3

WGK Germany 

3

F 

3-10-21

HazardClass 

6.1

PackingGroup 

III

HS Code 

29332900

MSDS

• Language:English Provider:ACROS
• Language:English Provider:SigmaAldrich
• Language:English Provider:ALFA

1-Butyl-3-methylimidazolium chloride Usage And Synthesis

Description

1-butyl-3-methylimidazolium chloride is a highly efficient direct solvent for the dissolution and regeneration of cellulose. During the precipitation of the regenerated cellulose, large volumes of dilute IL aqueous solutions are produced. This compound, an imidazolium-based ionic liquid, is considered the representative emerging persistent aquatic pollutant, and its environmental toxicity has attracted growing concern[1].

Chemical Properties

cream-colored to yellow mass

Uses

1-Butyl-3-methylimidazolium chloride can be used as a precursor for the preparation of other ionic liquids by anion metathesis.

Uses

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.

General Description

1-Butyl-3-methylimidazolium chloride is an imidazolium based ionic liquid.

Synthesis

1-Butyl-3-methylimidazolium chloride (BMImCl) was prepared according to a procedure available in the literature [26]. A solution of 1-chlorobutane (108 mmol) and 1-methylimidazole (108 mmol) in acetonitrile (60 mL) was refluxed for 48 h under inert atmosphere (Ar). Once cooled to room temperature, two layers were observed. The upper layer was removed, and the lower one was extracted with ethyl acetate three times to remove unreacted starting materials. The remaining solvent from the ionic liquid was removed via a rotary evaporator, and the product was dried under a high vacuum at 50 °C for 24 h. BMImCl: 1H NMR (300 MHz, CD3CN) δ (ppm): 0.91 (t, J = 7.3 Hz, 3H), 1.26–1.36 (m, 2H), 1.76–1.86 (m, 2H), 3.90 (s, 3H), 4.22 (t, J = 7.2 Hz, 2H), 7.51 (m, 1H), 7.54 (m, 1H), 9.77 (s, 1H).

References

[1] Qi Lu and Dongbo Wang*. “1-Butyl-3-methylimidazolium Chloride Affects Anaerobic Digestion through Altering Organics Transformation, Cell Viability, and Microbial Community.” 环境科学与技术 57 8 (2023): 3145–3155.
[2] Brunetti, B. et al. “Evaporation/Decomposition Behavior of 1-Butyl-3-Methylimidazolium Chloride (BMImCL) Investigated through Effusion and Thermal Analysis Techniques.” 2023. 0.

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