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| CAS No.: | 174501-64-5 |
|---|---|
| Name: | 1-Butyl-3-methylimidazolium hexafluorophosphate |
| Article Data: | 103 |
| Molecular Structure: | |
|
|
|
| Formula: | C8H15N2.PF6 |
| Molecular Weight: | 284.185 |
| Synonyms: | 1H-Imidazolium, 1-butyl-3-methyl-, hexafluorophosphate(1-) (9CI);3-Butyl-1-methylimidazolium hexafluorophosphate;1-Butyl-3-methyl-1H-imidazolium hexafluorophosphate;1-Butyl-3-methyl-1H-imidazolium hexafluorophosphate(1-);1-Methyl-3-butyl imidazolium hexafluorophosphate;1-n-Butyl-3-methylimidazolium hexafluorophosphate;BMI-PF 6;BmimPF6;BMIm hexafluorophosphate(1-);Bmim hexafluorophosphate;N-Butyl-N'-methylimidazolium hexafluorophosphate;LP 104; |
| EINECS: | 678-095-9 |
| Density: | 1.38 g/mL at 20 °C(lit.) |
| Melting Point: | 6.5 °C |
| Boiling Point: | >340°C |
| Flash Point: | >350°C |
| Solubility: | non-water soluble |
| Appearance: | Clear pale yellow oil |
| Hazard Symbols: |
 Xi, Xn
|
| Risk Codes: | 36/37/38-22 |
| Safety: | 26-37/39 |
| PSA: | 22.40000 |
| LogP: | 4.49510 |
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1-butyl-3-methylimidazolium chloride
- 174501-64-5
3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With Amberlyst A-26 (PF6- form) In methanol | 100% |
| With sodium hexaflorophosphate In acetone at 80℃; for 0.166667h; microwave irrradiation; | 99% |
| With potassium hexafluorophosphate In acetone at 20℃; for 24h; | 98% |
- 85100-77-2
1-n-butyl-3-methylimidazolim bromide
- 174501-64-5
3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With potassium hexafluorophosphate In water at 20℃; | 100% |
| With ammonium hexafluorophosphate In water at 20℃; for 2h; | 91% |
| With potassium hexafluorophosphate In water at 20℃; for 24h; | 87% |
- 65039-05-6
1-methyl-3-(n-butyl)imidazolium iodide
- 174501-64-5
3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With Amberlyst A-26 (PF6- form) In methanol | 100% |
| With Amberlist A-26 BF6(-) form In methanol Ionic liquid; |
- 4316-42-1
1-Butylimidazole
- 149-73-5
trimethyl orthoformate
- 174501-64-5
3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With ammonium hexafluorophosphate Reagent/catalyst; Schlenk technique; Reflux; | 95% |
| With ammonium hexafluorophosphate at 110℃; for 17h; Reagent/catalyst; Inert atmosphere; | 88% |
- 616-47-7
1-methyl-1H-imidazole
- 109-65-9
1-bromo-butane
- 174501-64-5
3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With potassium hexafluorophosphate at 40 - 120℃; for 0.166667h; microwave irradiation; sonication; | 94% |
| With potassium hexafluorophosphate at 80℃; for 3.5h; | 93% |
| With ammonium hexafluorophosphate; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate at 80℃; for 15h; | 89% |
- 616-47-7
1-methyl-1H-imidazole
- 109-69-3
n-Butyl chloride
- 174501-64-5
3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With sodium hexaflorophosphate at 70℃; for 336h; | 92% |
| Stage #1: 1-methyl-1H-imidazole; n-Butyl chloride In toluene for 48h; Reflux; Stage #2: With potassium hexafluorophosphate In toluene | 92% |
| With potassium hexafluorophosphate at 120 - 180℃; for 0.75h; microwave irradiation; | 90% |
- 4316-42-1
1-Butylimidazole
- 77-78-1
dimethyl sulfate
- 174501-64-5
3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate
| Conditions | Yield |
|---|---|
| Stage #1: 1-Butylimidazole; dimethyl sulfate for 0.25h; Stage #2: With sodium hexaflorophosphate In water | 92% |
- 174501-64-5
3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With potassium hexafluorophosphate In acetone for 24h; | 90% |
- 67-56-1
methanol
- 671779-18-3
N-methyl-N'-n-butylimidazolium-2-carboxylate
A
- 14660-45-8
potassium monomethylcarbonate
B
- 174501-64-5
3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With potassium hexafluorophosphate at 20℃; for 12h; | A 87% B 72% |
- 616-47-7
1-methyl-1H-imidazole
- 542-69-8
1-iodo-butane
- 174501-64-5
3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate
| Conditions | Yield |
|---|---|
| With potassium hexafluorophosphate; 3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate at 80℃; for 10h; | 85% |
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Specification
The 1-Butyl-3-methylimidazolium hexafluorophosphate, with the CAS registry number 174501-64-5, is also known as 3-Butyl-1-methylimidazolium hexafluorophosphate. It belongs to the product categories of Imidazolium Compounds; Imidazolium Salts (Ionic Liquids); Ionic Liquids; Synthetic Organic Chemistry; Ionic liquid. This chemical's molecular formula is C8H15N2.PF6 and molecular weight is 284.18. What's more, its systematic name is 1-Butyl-3-methyl-1H-imidazol-3-ium hexafluorophosphate. This chemical is a viscous, colourless, hydrophobic and non-water soluble ionic liquid. Together with 1-butyl-3-methylimidazolium tetrafluoroborate, BMIM-BF4, it is one of the most widely studied ionic liquids. It is known to very slowly decompose in the presence of water.
Preparation: this chemical can be obtained in two steps: BMIM-Cl is synthesized by alkylating 1-methylimidazole with 1-chlorobutane. A metathesis reaction with potassium hexafluorophosphate gives the desired compound; the tetrafluoroborate may be prepared by analogously using potassium tetrafluoroborate.
When you are using this chemical, please be cautious about it as the following:
This chemical is irritating to eyes, respiratory system and skin. It is harmful if swallowed. In case of contact with eyes, you should rinse immediately with plenty of water and seek medical advice. When using it, you need wear suitable protective gloves and eye/face protection.
You can still convert the following datas into molecular structure:
(1)SMILES: CCCCn1cc[n+](c1)C.F[P-](F)(F)(F)(F)F
(2)Std. InChI: InChI=1S/C8H15N2.F6P/c1-3-4-5-10-7-6-9(2)8-10;1-7(2,3,4,5)6/h6-8H,3-5H2,1-2H3;/q+1;-1
(3)Std. InChIKey: IXQYBUDWDLYNMA-UHFFFAOYSA-N