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1-Octyl-3-methylimidazolium tetrafluoroborate
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  • Name 1-Octyl-3-methylimidazolium tetrafluoroborate
  • EINECSN/A
  • CAS No. 244193-52-0
  • Density1.12 g/cm3
  • PSA8.81000
  • LogP3.97310
  • SolubilityN/A
  • Melting Point-88 °C
  • FormulaC12H23BF4N2
  • Boiling PointN/A
  • Molecular Weight282.133
  • Flash PointN/A
  • Transport InformationN/A
  • AppearanceN/A
  • Safety23-24/25
  • Risk CodesN/A
  • Molecular Structure
    Molecular Structure of 244193-52-0 (3-Methyl-1-octylimidazolium tetrafluoroborate)
  • Hazard SymbolsN/A
  • SynonymsN/A
  • Article Data37

1-Octyl-3-methylimidazolium tetrafluoroborate Synthetic route

13755-29-8

sodium tetrafluoroborate

64697-40-1

1-methyl-3-octylimidazol-3-ium chloride

244193-52-0

1-octyl-3-methylimidazolium tetrafluoroborate

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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℃;

1-octyl-3-methyl-imidazolium bromide

244193-52-0

1-octyl-3-methylimidazolium tetrafluoroborate

Conditions
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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
ConditionsYield
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

1-halogenooctane

1-halogenooctane

244193-52-0

1-octyl-3-methylimidazolium tetrafluoroborate

Conditions
ConditionsYield
Stage #1: 1-methyl-1H-imidazole; 1-halogenooctane
Stage #2: With sodium tetrafluoroborate

1-Octyl-3-methylimidazolium tetrafluoroborate 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

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