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| CAS No.: | 244193-52-0 |
|---|---|
| Name: | 3-Methyl-1-octylimidazolium tetrafluoroborate |
| Article Data: | 37 |
| Molecular Structure: | |
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|
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| Formula: | C12H23BF4N2 |
| Molecular Weight: | 282.133 |
| Synonyms: | 1-Octyl-3-methyl-imidazolium tetrafluoroborate; |
| Density: | 1.12 g/cm3 |
| Melting Point: | -88 °C |
| Safety: | 23-24/25 |
| PSA: | 8.81000 |
| LogP: | 3.97310 |
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- 852475-26-4MC1568
- 13755-29-8
sodium tetrafluoroborate
- 64697-40-1
1-methyl-3-octylimidazol-3-ium chloride
- 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate
| Conditions | Yield |
|---|---|
| In water at 20℃; for 24h; | 97% |
| In acetone at 20℃; for 48h; | 85.1% |
| In acetone at 20℃; for 48h; | 84% |
| In acetone at 20℃; for 48h; | 84.7% |
| In acetone at 50℃; for 6h; |
- 616-47-7
1-methyl-1H-imidazole
- 111-85-3
1-Chlorooctane
- 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate
| Conditions | Yield |
|---|---|
| With potassium tetrafluoroborate at 120 - 140℃; for 0.5h; microwave irradiation; sonication; | 95% |
| With sodium tetrafluoroborate at 70℃; for 336h; | 90% |
- 616-47-7
1-methyl-1H-imidazole
- 111-83-1
1-bromo-octane
- 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate
| Conditions | Yield |
|---|---|
| With potassium tetrafluoroborate at 140℃; for 0.333333h; microwave irradiation; sonication; | 94% |
| With sodium tetrafluoroborate; 1-octyl-3-methylimidazolium tetrafluoroborate at 80℃; for 15h; | 92% |
| With potassium tetrafluoroborate at 80℃; for 3h; sonification; | 78% |
| Stage #1: 1-methyl-1H-imidazole; 1-bromo-octane at 80℃; for 48h; Stage #2: With sodium tetrafluoroborate In water at 20℃; for 24h; Further stages.; |
- 21252-69-7
N-octylimidazole
- 77-78-1
dimethyl sulfate
- 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate
| Conditions | Yield |
|---|---|
| Stage #1: N-octylimidazole; dimethyl sulfate for 0.25h; Stage #2: With sodium tetrafluoroborate In water | 94% |
- 64697-40-1
1-methyl-3-octylimidazol-3-ium chloride
- 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate
| Conditions | Yield |
|---|---|
| With sodium tetrafluoroborate In dichloromethane at 70℃; for 24h; Inert atmosphere; Schlenk technique; Glovebox; | 90% |
| With ammonium tetrafluroborate at 80 - 110℃; for 0.0583333h; Irradiation; microwave; | 89% |
| With tetrafluoroboric acid In water Substitution; | |
| With aq. BF4H at 20℃; | |
| With sodium tetrafluoroborate In dichloromethane; water at 0℃; |
- 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate
| Conditions | Yield |
|---|---|
| With ammonium tetrafluroborate at 80 - 110℃; for 0.0583333h; Irradiation; microwave; | 88% |
| With sodium tetrafluoroborate In water | |
| With sodium tetrafluoroborate |
- 111-87-5
octanol
- 151200-14-5
1-methylimidazolium tetrafluoroborate
- 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate
| Conditions | Yield |
|---|---|
| With di-isopropyl azodicarboxylate; triphenylphosphine In acetonitrile at 20℃; Mitsunobu reaction; | 83% |
- 111-85-3
1-Chlorooctane
- 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: 48 h / Heating 2: aq. BF4H / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: cyclohexane; toluene / 48 h / 75 °C 2: acetone / 48 h / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: neat (no solvent) / 24 h / 80 °C / Inert atmosphere 2: water / 24 h / 20 °C View Scheme |
- 111-83-1
1-bromo-octane
- 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate
| Conditions | Yield |
|---|---|
| Multi-step reaction with 2 steps 1: NaBF4 / H2O View Scheme | |
| Multi-step reaction with 2 steps 1: 48 h / 69.84 °C 2: acetone / 10 h / 39.84 °C View Scheme | |
| Multi-step reaction with 2 steps 1: neat liquid / 4 h / 80 °C / Autoclave 2: neat liquid / 4 h / 80 °C / Autoclave View Scheme | |
| Multi-step reaction with 2 steps 1: 0.5 h / 140 °C / Sealed tube 2: methanol / 24 h / 20 °C View Scheme | |
| Multi-step reaction with 2 steps 1: acetonitrile / 6 h / 70 °C 2: sodium tetrafluoroborate View Scheme |
- 616-47-7
1-methyl-1H-imidazole
- 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate
| Conditions | Yield |
|---|---|
| Stage #1: 1-methyl-1H-imidazole; 1-halogenooctane Stage #2: With sodium tetrafluoroborate |
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Specification
The 3-Methyl-1-octylimidazolium tetrafluoroborate, with the CAS registry number 244193-52-0, is also known as 1-Octyl-3-methyl-imidazolium tetrafluoroborate. This chemical's molecular formula is C12H23BF4N2 and molecular weight is 282.129. What's more, its systematic name is called 3-Methyl-1-octyl-1H-imidazol-3-ium tetrafluoroborate.
Physical properties about 3-Methyl-1-octylimidazolium tetrafluoroborate are: (1)#H bond acceptors: 2; (2)#H bond donors: 0; (3)#Freely Rotating Bonds: 7; (4)Melting Point: -88 °C; (5)Density: 1.12 g/cm3.
When you are dealing with this chemical, you should be very careful. This chemical is irritating to eyes and skin. Therefore, you should avoid contact with skin and eyes. Make sure do not breathe gas/fumes/vapour/spray (appropriate wording to be specified by the manufacturer).
You can still convert the following datas into molecular structure:
(1) SMILES: F[B-](F)(F)F.c1c[n+](cn1CCCCCCCC)C
(2) InChI: InChI=1/C12H23N2.BF4/c1-3-4-5-6-7-8-9-14-11-10-13(2)12-14;2-1(3,4)5/h10-12H,3-9H2,1-2H3;/q+1;-1
(3) InChIKey: GXZCAMSPWNHTAE-UHFFFAOYAP