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1-Butyl-3-methylimidazolium chloride

CAS No.79917-90-1
Chemical Name:1-Butyl-3-methylimidazolium chloride
CBNumber:CB5114025
Molecular Formula:C8H15ClN2
Formula Weight:174.67
MOL File:79917-90-1.mol

1-Butyl-3-methylimidazolium chloride Property

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)
FDA UNII 41PS77334A
EPA Substance Registry System 1H-Imidazolium, 3-butyl-1-methyl-, chloride (1:1) (79917-90-1)
UNSPSC Code 12352200
NACRES NA.23

Safety

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

NFPA 704:

	1
2		1

Hazard and Precautionary Statements (GHS)

Symbol(GHS)
Signal wordDanger
Hazard statements H301-H315-H319-H411
Precautionary statements P264-P270-P273-P301+P310-P302+P352-P305+P351+P338

1-Butyl-3-methylimidazolium chloride Price More Price(21)

Brand: Sigma-Aldrich(India)
Product number: 94128
Product name : 1-Butyl-3-methylimidazolium chloride
Purity: ≥98.0% (HPLC)
Packaging: 5G
Price: ₹6570.78
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 94128
Product name : 1-Butyl-3-methylimidazolium chloride
Purity: ≥98.0% (HPLC)
Packaging: 50G
Price: ₹13119.9
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 94128
Product name : 1-Butyl-3-methylimidazolium chloride
Purity: ≥98.0% (HPLC)
Packaging: 250G
Price: ₹29021.83
Updated: 2022/06/14
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Brand: Sigma-Aldrich(India)
Product number: 900856
Product name : 1-Butyl-3-methylimidazolium chloride
Purity: ≥99%
Packaging: 25G
Price: ₹43029.38
Updated: 2022/06/14
Buy: Buy

Brand: Sigma-Aldrich(India)
Product number: 04129
Product name : 1-Butyl-3-methylimidazolium chloride
Purity: ≥99.0% (HPLC)
Packaging: 5G
Price: ₹6603.25
Updated: 2022/06/14
Buy: Buy

1-Butyl-3-methylimidazolium chloride Chemical Properties,Usage,Production

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