1-Octyl-3-methylimidazolium tetrafluoroborate supplier

Name
3-Methyl-1-octylimidazolium tetrafluoroborate
EINECS
CAS No. 244193-52-0
Article Data37
CAS DataBase
Density 1.12 g/cm³
Solubility
Melting Point -88 °C
Formula C₁₂H₂₃BF₄N₂
Boiling Point
Molecular Weight 282.133
Flash Point
Transport Information
Appearance
Safety 23-24/25
Risk Codes
Molecular Structure
Hazard Symbols
Synonyms 1-Octyl-3-methyl-imidazolium tetrafluoroborate;
PSA 8.81000
LogP 3.97310

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

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

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

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

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

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℃;

: 1-octyl-3-methyl-imidazolium bromide

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

Conditions

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

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

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

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

1-halogenooctane: 1-halogenooctane

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

Conditions

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

: 13755-29-8
sodium tetrafluoroborate

: 1-octyl-3-methyl-imidazolium bromide

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

Conditions

Conditions	Yield
In water
In dichloromethane at 20℃; Inert atmosphere;
In acetone at 39.84℃; for 10h;
In neat liquid at 80℃; for 4h; Autoclave;
In methanol at 20℃; for 24h;

: tetrafluoroboric acid

: 1-octyl-3-methyl-imidazolium bromide

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

Conditions

Conditions	Yield
In water

: tetrafluoroboric acid

: 64697-40-1
1-methyl-3-octylimidazol-3-ium chloride

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

Conditions

Conditions	Yield
In water

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

: 1-methyl-3-octyl-1H-imidazole-2(3H)-thione

Conditions

Conditions	Yield
Stage #1: 1-octyl-3-methylimidazolium tetrafluoroborate at 50℃; Electrolysis; Inert atmosphere; Stage #2: With sulfur for 0.166667h; Inert atmosphere; Irradiation;	99%

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

: 1-methyl-3-octylimidazolium tetrafluoroborate-d3

Conditions

Conditions	Yield
With cesium hydroxide; water-d2 at 60℃; for 18h;

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

A: BF4(1-)*C12H22(2)HN2(1+)

B: BF4(1-)*C12H21(2)H2N2(1+)

Conditions

Conditions	Yield
With cesium hydroxide monohydrate; deuteromethanol at 40℃; for 16h; Reactivity; Reagent/catalyst;

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

: 1-octyl-3-methylimidazolium-2-trifluoroborate

Conditions

Conditions	Yield
In neat (no solvent) byproducts: HF; degassing 1-octyl-3-methylimidazolium tetrafluroborate by heating in high vac. to 323 K, then to 373 K, then to 423 K and then to 473 K over 3 ds, distn. at 500-520 K at >5E-5 mbar; MS, NMR;
at 226.84 - 246.84℃; under 3.75038E-05 Torr;	0.92 g

: yttrium(lll) nitrate hexahydrate

: ytterbium(III) nitrate hexahydrate

: erbium(III) nitrate hexahydrate

: 7647-14-5
sodium chloride

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

NaYF4#dotYb(3+)#dotEr(3+): NaYF4#dotYb(3+)#dotEr(3+)

Conditions

Conditions	Yield
In further solvent(s) High Pressure; mixt. of salts were added into beaker contg. solvent imidazolium salt and stirred for 30 min at 80°C, soln. was then transferred into autoclave and heated at 140-180°C for 10-22 h, cooled to room temp.; mixt. was diluted with EtOH or acetone, ppt. was centrifuged, washed with EtOH, dried in vac. at 50°C; XRD;

...Expand

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

: C12H22N2

Conditions

Conditions	Yield
In N,N-dimethyl-formamide Electrolysis;

: 14024-18-1
iron(III)-acetylacetonate

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

: iron(II) fluoride

Conditions

Conditions	Yield
In diphenylether at 250℃; under 3750.38 Torr; for 10h; Inert atmosphere;

: 17455-13-9
18-crown-6 ether

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

: 18C6-1-methyl-3-octylimidazolium tetrafluoroborate

Conditions

Conditions	Yield
In acetonitrile

: 14187-32-7
dibenzo-18-crown-6

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

: DB18C6-1-methyl-3-octylimidazolium tetrafluoroborate

Conditions

Conditions	Yield
In acetonitrile

: 2CH3Te(1-)*6C12H23N2(1+)*Hg6Te10(4-)

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

: C48H88HgN8Te4(2+)*2BF4(1-)

Conditions

Conditions	Yield
With air for 730.5h;

: Na2HgTe2

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

: 2CH3Te(1-)*6C12H23N2(1+)*Hg6Te10(4-)

Conditions

Conditions	Yield
at 60℃; for 12h; Schlenk technique; Glovebox; Inert atmosphere; Sealed tube;

: barium(II) nitrate

: ytterbium(III) nitrate

: erbium(III) nitrate

: gadolinium(III) nitrate

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

Reaxys ID: 37111156: Reaxys ID: 37111156

Conditions

Conditions	Yield
In water at 180℃; for 24h; Autoclave; Green chemistry;

...Expand

: barium(II) nitrate

: ytterbium(III) nitrate

: erbium(III) nitrate

: gadolinium(III) nitrate

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

Reaxys ID: 37111157: Reaxys ID: 37111157

Conditions

Conditions	Yield
In water at 180℃; for 24h; Autoclave; Green chemistry;

...Expand

: barium(II) nitrate

: dysprosium nitrate

: cerous nitrate

: gadolinium(III) nitrate

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

Reaxys ID: 37111152: Reaxys ID: 37111152

Conditions

Conditions	Yield
In water at 180℃; for 24h; Autoclave; Green chemistry;

...Expand

: barium(II) nitrate

: europium(III) nitrate

: dysprosium nitrate

: cerous nitrate

: gadolinium(III) nitrate

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

Reaxys ID: 37111143: Reaxys ID: 37111143

Conditions

Conditions	Yield
In water at 180℃; for 24h; Autoclave; Green chemistry;

...Expand

: barium(II) nitrate

: europium(III) nitrate

: dysprosium nitrate

: cerous nitrate

: gadolinium(III) nitrate

: 244193-52-0
1-octyl-3-methylimidazolium tetrafluoroborate

Reaxys ID: 37111150: Reaxys ID: 37111150

Conditions

Conditions	Yield
In water at 180℃; for 24h; Autoclave; Green chemistry;

...Expand

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 C₁₂H₂₃BF₄N₂and 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

Product Name

3-Methyl-1-octylimidazolium tetrafluoroborate

Synthetic route

1-Octyl-3-methylimidazolium tetrafluoroborate Specification

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