1-Butyl-3-methylimidazolium chloride

Bezeichnung:1-Butyl-3-methylimidazolium chloride

CAS-Nr79917-90-1

Englisch Name:1-Butyl-3-methylimidazolium chloride

CBNumberCB5114025

SummenformelC8H15ClN2

Molgewicht174.67

MOL-Datei79917-90-1.mol

1-Butyl-3-methylimidazolium chloride physikalisch-chemischer Eigenschaften

Schmelzpunkt	~70 °C
Dichte	d25 1.08 (dried)
Flammpunkt	192 °C
storage temp.	Inert atmosphere,Room Temperature
Löslichkeit	DMSO (Slightly), Methanol (Sparingly)
Aggregatzustand	Mass
Farbe	Cream to yellow
Wasserlöslichkeit	Soluble in acetone, acetonitrile, hot ethyl acetate, isopropyl alcohol, methylene chloride and methanol. Insoluble in water, hexane and toluene,
Sensitive	Hygroscopic
BRN	6449277
Stabilität	hygroscopic
Major Application	battery manufacturing
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 Datenbank	79917-90-1(CAS DataBase Reference)
EPA chemische Informationen	1H-Imidazolium, 3-butyl-1-methyl-, chloride (1:1) (79917-90-1)

Sicherheit

Kennzeichnung gefährlicher	T,N
R-Sätze:	25-36/37/38-51/53-36/38
S-Sätze:	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
Speicherklasse	6.1C - Combustible acute toxic Cat.3 toxic compounds or compounds which causing chronic effects
Hazard Classifications	Acute Tox. 3 Oral Aquatic Chronic 2 Eye Irrit. 2 Skin Irrit. 2

Gefahreninformationscode (GHS)

1-Butyl-3-methylimidazolium chloride Chemische Eigenschaften,Einsatz,Produktion Methoden

R-Sätze Betriebsanweisung:
R25:Giftig beim Verschlucken.
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
R51/53:Giftig für Wasserorganismen, kann in Gewässern längerfristig schädliche Wirkungen haben.
R36/38:Reizt die Augen und die Haut.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S45:Bei Unfall oder Unwohlsein sofort Arzt zuziehen (wenn möglich, dieses Etikett vorzeigen).
S61:Freisetzung in die Umwelt vermeiden. Besondere Anweisungen einholen/Sicherheitsdatenblatt zu Rate ziehen.
S22:Staub nicht einatmen.
Beschreibung
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].
Chemische Eigenschaften
cream-colored to yellow mass
Verwenden
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.
Verwenden
1-Butyl-3-methylimidazolium chloride can be used as a precursor for the preparation of other ionic liquids by anion metathesis.
Allgemeine Beschreibung
1-Butyl-3-methylimidazolium chloride is an imidazolium based ionic liquid.
Synthese
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).
Einzelnachweise
[1] Qi Lu and Dongbo Wang*. “1-Butyl-3-methylimidazolium Chloride Affects Anaerobic Digestion through Altering Organics Transformation, Cell Viability, and Microbial Community.” Environmental Science and Technology 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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