1-Butyl-3-methylimidazolium hexafluorophosphate

Bezeichnung:1-Butyl-3-methylimidazolium hexafluorophosphate

CAS-Nr174501-64-5

Englisch Name:1-Butyl-3-methylimidazolium hexafluorophosphate

CBNumberCB6203652

SummenformelC8H15F6N2P

Molgewicht284.18

MOL-Datei174501-64-5.mol

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

Schmelzpunkt	6.5 °C
Siedepunkt	>340°C
Dichte	1.38 g/mL at 20 °C (lit.)
Brechungsindex	n20/D 1.41
Flammpunkt	>350°C
storage temp.	Store below +30°C.
Löslichkeit	Acetone, Methanol
Aggregatzustand	Viscous Liquid
Wichte	1.396
Farbe	Clear colorless to pale yellow
PH	5 (H2O, 20℃)
Wasserlöslichkeit	Miscible with dichloromethane, chloroform, ethyl acetate. Immiscible with water, diethyl ether and hexane.
Hydrolytic Sensitivity	4: no reaction with water under neutral conditions
Merck	14,1581
InChIKey	IXQYBUDWDLYNMA-UHFFFAOYSA-N
CAS Datenbank	174501-64-5(CAS DataBase Reference)
ECW	4.2 V

Sicherheit

Kennzeichnung gefährlicher	Xi,Xn
R-Sätze:	36/37/38-22
S-Sätze:	26-37/39
WGK Germany	3
F	3-10
TSCA	No
HazardClass	IRRITANT
HS Code	29339900

Gefahreninformationscode (GHS)

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

Conductivity
1.92 mS/cm
R-Sätze Betriebsanweisung:
R36/37/38:Reizt die Augen, die Atmungsorgane und die Haut.
R22:Gesundheitsschädlich beim Verschlucken.
S-Sätze Betriebsanweisung:
S26:Bei Berührung mit den Augen sofort gründlich mit Wasser abspülen und Arzt konsultieren.
S37/39:Bei der Arbeit geeignete Schutzhandschuhe und Schutzbrille/Gesichtsschutz tragen.
Chemische Eigenschaften
Clear pale yellow oil
Verwenden
1-Butyl-3-methylimidazolium hexafluorophosphate is an ionic liquid employed in many environmentally friendly reactions.

It can also be used as a medium for reactions such as:
- Ring-closing metathesis of diene and enyne substrates in the presence of a novel recyclable ruthenium carbene complex.
- Nickel(II)acetylacetonate catalyzed oxidation of aromatic aldehydes to the corresponding acids using dioxygen as the oxidant.
- Lipase-catalyzed enantioselective acylation of allylic alcohols.
- Allylation of aldehydes using tetraallylstannane to yield homoallylic alcohols.
Verwenden
those consisting of tetrafluoroborate, alkylsulfate, alkylsulfonate, carboxylate, or phosphate anions are hydrophilic and are completely dissolved in water. Dupont and coworkers first reported stable hydrophobic imidazolium salt, 1-butyl-3-methylimidazolium hexafluorophosphate ([C4mim][PF6]) in 1996. Since then, this salt has been used as a typical hydrophobic IL in many chemical reactions because its mixture with water forms a biphasic layer. Furthermore, this IL shows poor solubility in hexane or ether, which allows realization of an easy work-up process. However, [C4mim][PF6] was reported to be sensitive to the moisture at high temperature and produced hazardous hydrogen fluoride as it decomposed. Therefore, bis(trifluoromethanesulfonyl)amide (NTf2) salts are now recommended as the anion for preparing hydrophobic ILs.
Allgemeine Beschreibung
1-Butyl-3-methylimidazolium hexafluorophosphate is an imidazolium-based, hydrophobic, room temperature ionic liquid (RTIL). It can be prepared by reacting 1-methylimidazole with chlorobutane. Gaseous hydrofluorocarbons (HFCs) such as fluoromethane, fluoroethane and 1,1,2,2-tetrafluoroethane are soluble in BMIMPF₆.
Synthese
81.89 g (1.0 mol) of 1-methylimidazole, 128.95 g (1.0 mol) of and 92.0 g (1.0 mol) of potassium hexafluorophosphate in a 500 ml three-necked round bottom flask with a reflux condenser at 80 °C for 12 h. 1-bromobutane De-ionized water (100 ml) was added and a bi-phase was formed. The immiscible ionic liquid layer was separated from the water phase with a separating funnel. The ionic liquid was washed with de-ionized water (2 × 50 ml) until the water phase did not react with 0.001 M aqueous silver nitrate (AgNO3). Diethyl ether(2 × 30ml) was added to the ionic liquid and separated in a separating funnel. The ionic liquid 1-Butyl-3-methylimidazolium hexafluorophosphate was dried in a vacuum for 2 h. A colourless liquid was obtained Yield (86 per cent). 1H NMRof the ionic liquid sample (300MHz, DMSO) contains peaks at δ: 9.05 (s, 1H-imidazole), 7.77 (s, 1H-imidazole), 7.65 (s, 1H-imidazole),4.16 (s, N–CH3), 3.8 (s, N–methyl), 1.8 (s, CH2), 1.30 (s, CH2), and 0.92(t, methyl).
Einzelnachweise
[1] Shaukat Ali Mazari . “Prediction of thermo-physical properties of 1-Butyl-3-methylimidazolium hexafluorophosphate for CO2 capture using machine learning models.” Journal of Molecular Liquids 327 (2021): Article 114785.

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