| Identification | More | [Name]
1-Butyl-3-methylimidazolium hexafluorophosphate | [CAS]
174501-64-5 | [Synonyms]
1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE
1-BUTYL-3-METHYLIMIDAZOLIUM HEXFLUOROPHOSPHATE
1-N-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE
BMIMPF6
1-Butyl-3-Methyl-1h-Imidazolium Hexafluorophosphate
1-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPH
1-Butyl-3-methylimidazolium hexafluorophosphate 97%
1-Butyl-3-methylimidazoliumhexafluorophosphate97%
1-N-BUTYL-3-METHYLIMIDAZOLIUM HEXAFLUOROPHOSPHATE 99%
1-n-Butyl-3-methylimidazolium hexafluorophosphate, 98+%
1-Butyl-3-methylimidazolium hexafluorophosphate ,99% | [EINECS(EC#)]
678-095-9 | [Molecular Formula]
C8H15F6N2P | [MDL Number]
MFCD03093295 | [Molecular Weight]
284.18 | [MOL File]
174501-64-5.mol |
| Chemical Properties | Back Directory | [Appearance]
Clear pale yellow oil | [Melting point ]
6.5 °C
| [Boiling point ]
>340°C | [density ]
1.38 g/mL at 20 °C(lit.)
| [refractive index ]
n20/D 1.41
| [Fp ]
>350°C | [storage temp. ]
Store below +30°C. | [solubility ]
Acetone, Methanol | [form ]
Viscous Liquid | [color ]
Clear colorless to pale yellow | [Specific Gravity]
1.396 | [PH]
5 (H2O, 20℃) | [Water Solubility ]
Miscible with dichloromethane, chloroform, ethyl acetate. Immiscible with water, diethyl ether and hexane. | [Hydrolytic Sensitivity]
4: no reaction with water under neutral conditions | [Detection Methods]
NMR,HPLC | [Merck ]
14,1581 | [InChIKey]
IXQYBUDWDLYNMA-UHFFFAOYSA-N | [Uses]
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. | [CAS DataBase Reference]
174501-64-5(CAS DataBase Reference) | [ECW]
4.2 V |
| Hazard Information | Back Directory | [Chemical Properties]
Clear pale yellow oil | [Conductivity]
1.92 mS/cm | [General Description]
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. | [Synthesis]
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).
| [References]
[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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| Safety Data | Back Directory | [Hazard Codes ]
Xi,Xn | [Risk Statements ]
R36/37/38:Irritating to eyes, respiratory system and skin .
R22:Harmful if swallowed. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S37/39:Wear suitable gloves and eye/face protection . | [WGK Germany ]
3
| [F ]
3-10 | [Hazard Note ]
Irritant | [TSCA ]
No | [HazardClass ]
IRRITANT | [HS Code ]
29339900 |
| Questions And Answer | Back Directory | [ionic liquid]
The ionic liquid 1-butyl-3-methylimidazolium hexafluorophosphate ([Bmim][PF6]) has been much studied for CO2 removal. It was first used by Blanchard et al. 1999 to enhance the solubility of CO2. The PF6 anion is responsible for high CO2 solubility in an ionic liquid. [Bmim][PF6] has higher CO2 solubility than many ionic liquids such as 1-octyl-3-methylimidazolium tetrafluoroborate ([C8mim][BF4]), 1-Butyl-3-methylimidazolium thiocyanate [Bmim][SCN], 1,3-Dimethylimidazolium methylphosphonate [Dmim][MP], 1-Hexyl-3-methylimidazolium trifluoromethane-sulfonate [C6mim][TfO], 1-Butyl-3-methylimidazolium trifluoroacetate [C4mim][TFA], 1-Octyl-3-methyl-imidazolium tetrafluoroborate [Omim][BF4], 1-Ethyl-3-methylimidazolium tetrafluoroborate [Emim][BF4], etc[1].
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