Product Name

  • Name

    1-Butyl-3-methylimidazolium chloride

  • EINECS 460-120-8
  • CAS No. 79917-90-1
  • Article Data23
  • CAS DataBase
  • Density d25 1.08 (dried)
  • Solubility soluble in water
  • Melting Point ~70 °C
  • Formula C8H15ClN2
  • Boiling Point
  • Molecular Weight 174.673
  • Flash Point 192 °C
  • Transport Information UN 2811 6.1/PG 3
  • Appearance colorless to straw yellow liquid
  • Safety 26-45-61-22
  • Risk Codes 25-36/37/38-51/53-36/38
  • Molecular Structure Molecular Structure of 79917-90-1 (1-Butyl-3-methylimidazolium chloride)
  • Hazard Symbols ToxicT,DangerousN
  • Synonyms 1H-Imidazolium,1-butyl-3-methyl-, chloride (9CI);1-Butyl-3-methyl-1H-imidazolium chloride;1-Methyl-3-butylimidazolium chloride;1-n-Butyl-3-methylimidazolium chloride;3-Butyl-1-methylimidazolium chloride;Basionic ST 70;N-Butyl-N'-methylimidazolium chloride;[BMIM]Cl;1H-Imidazolium,3-butyl-1-methyl-, chloride (1:1);
  • PSA 8.81000
  • LogP -1.88330

Synthetic route

1-methyl-1H-imidazole
616-47-7

1-methyl-1H-imidazole

n-Butyl chloride
109-69-3

n-Butyl chloride

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Conditions
ConditionsYield
Alkylation;100%
In toluene at 112 - 113℃; for 3h;100%
at 170℃; Microwave irradiation;99%
1-methyl-3-(n-butyl)imidazolium iodide
65039-05-6

1-methyl-3-(n-butyl)imidazolium iodide

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Conditions
ConditionsYield
With Amberlist A-26 Cl(-) form In methanol Ionic liquid;100%
With Amberlyst A-26 (Cl- form) In methanol100%
3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate
174501-64-5

3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Conditions
ConditionsYield
With Amberlyst A-26 (Cl- form) In methanol100%
n-Butyl chloride
109-69-3

n-Butyl chloride

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Conditions
ConditionsYield
With 1-methyl-1H-imidazole98%
1-butyl-3-methylimidazolium formate
497144-87-3

1-butyl-3-methylimidazolium formate

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Conditions
ConditionsYield
With hydrogenchloride In water at 25℃; for 0.5h;95%
3-butyl-1-methylimidazolium acetate
284049-75-8

3-butyl-1-methylimidazolium acetate

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Conditions
ConditionsYield
With hydrogenchloride In water at 50℃; Product distribution / selectivity; Cooling;93.5%
chlorure de methyl-1 (dinitro-2,4 phenyl)-3 imidazolium
39678-28-9

chlorure de methyl-1 (dinitro-2,4 phenyl)-3 imidazolium

N-butylamine
109-73-9

N-butylamine

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Conditions
ConditionsYield
In ethanol; water at 35℃; for 1.5h; Zincke reaction; Sonication; Inert atmosphere;81%
1-methyl-1H-imidazole
616-47-7

1-methyl-1H-imidazole

1-bromo-butane
109-65-9

1-bromo-butane

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Conditions
ConditionsYield
at 70℃; for 48h;80%
In diethyl ether
1-butyl-3-methylimidazolium hydroxide

1-butyl-3-methylimidazolium hydroxide

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Conditions
ConditionsYield
With hydrogenchloride In acetone
1-butyl-3-methylimidazolium 4-chlorobutylsulfonate:

1-butyl-3-methylimidazolium 4-chlorobutylsulfonate:

A

1,4-butane sultone
1633-83-6

1,4-butane sultone

B

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Conditions
ConditionsYield
at 210℃; for 4h;
2-methylimidazole
693-98-1

2-methylimidazole

n-Butyl chloride
109-69-3

n-Butyl chloride

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Conditions
ConditionsYield
Inert atmosphere;
1-Butylimidazole
4316-42-1

1-Butylimidazole

carbonic acid dimethyl ester
616-38-6

carbonic acid dimethyl ester

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Conditions
ConditionsYield
Stage #1: 1-Butylimidazole With hydrogenchloride In water Cooling with ice;
Stage #2: carbonic acid dimethyl ester at 169.84℃; for 8h; Autoclave; Neat (no solvent);
1-Butylimidazole
4316-42-1

1-Butylimidazole

trimethyl orthoformate
149-73-5

trimethyl orthoformate

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Conditions
ConditionsYield
With ammonium chloride at 110℃; for 24h; Inert atmosphere;
With ammonium chloride at 0 - 110℃; for 24h;50 %Spectr.
n-Butyl chloride
109-69-3

n-Butyl chloride

1-methyl-3H-imidazolium

1-methyl-3H-imidazolium

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Conditions
ConditionsYield
at 80℃; for 72h;
methylene chloride
74-87-3

methylene chloride

4-n-butyl-1,2,4-triazole
16227-10-4

4-n-butyl-1,2,4-triazole

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Conditions
ConditionsYield
In acetonitrile for 36h; Reflux; Inert atmosphere; Schlenk technique;
1-methyl-1H-imidazole
616-47-7

1-methyl-1H-imidazole

n-butane
106-97-8

n-butane

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Conditions
ConditionsYield
at 50℃; for 12h; Inert atmosphere;
1-n-butyl-3-methylimidazolim bromide
85100-77-2

1-n-butyl-3-methylimidazolim bromide

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Conditions
ConditionsYield
With hydrogenchloride In acetone at 40℃; for 10h;
1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

1-butyl-3-methylimidazolium Tetrafluoroborate
174501-65-6

1-butyl-3-methylimidazolium Tetrafluoroborate

Conditions
ConditionsYield
With triethylsulfonium tetrafluoroborate In dichloromethane at 60 - 70℃; for 672h; Product distribution / selectivity;100%
With tetrafluoroboric acid In water at 70℃;100%
With tetrafluoroboric acid; silver(l) oxide In water at 20℃; for 3h; Darkness;97%
1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate
174501-64-5

3-butyl-1-methyl-1H-imidazol-3-ium hexafluorophosphate

Conditions
ConditionsYield
With Amberlyst A-26 (PF6- form) In methanol100%
With sodium hexaflorophosphate In acetone at 80℃; for 0.166667h; microwave irrradiation;99%
With potassium hexafluorophosphate In acetone at 20℃; for 24h;98%
toluene-4-sulfonic acid
104-15-4

toluene-4-sulfonic acid

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

1-butyl-3-methylimidazolium 4-methylbenzenenesulfonate

1-butyl-3-methylimidazolium 4-methylbenzenenesulfonate

Conditions
ConditionsYield
In 1,4-dioxane at 20℃;100%
at 80℃;
1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

methyl trifluoromethanesulfonate
333-27-7

methyl trifluoromethanesulfonate

1-(n-butyl)-3-methylimidazolium triflate
174899-66-2

1-(n-butyl)-3-methylimidazolium triflate

Conditions
ConditionsYield
at 20℃; for 0.5h; Product distribution / selectivity;100%
at 20℃; for 0.5h;100%
trimethylsilyl trifluoromethanesulfonate
27607-77-8

trimethylsilyl trifluoromethanesulfonate

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

1-(n-butyl)-3-methylimidazolium triflate
174899-66-2

1-(n-butyl)-3-methylimidazolium triflate

Conditions
ConditionsYield
at 20℃; for 4h; Product distribution / selectivity;100%
at 20℃; for 0.5h;100%
1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

trifluoroacetic anhydride
407-25-0

trifluoroacetic anhydride

1-butyl-3-methylimidazolium trifluoroacetate

1-butyl-3-methylimidazolium trifluoroacetate

Conditions
ConditionsYield
at 20℃; for 1 - 3h;100%
dimethyl sulfate
77-78-1

dimethyl sulfate

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

1-butyl-3-methylimidazolium methylsulfate
401788-98-5

1-butyl-3-methylimidazolium methylsulfate

Conditions
ConditionsYield
at 20℃; for 1h; Product distribution / selectivity;100%
diethyl sulfate
64-67-5

diethyl sulfate

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

1-butyl-3-methylimidazolium ethyl sulfate
597579-96-9

1-butyl-3-methylimidazolium ethyl sulfate

Conditions
ConditionsYield
at 20℃; for 2h;100%
Methyl(trimethylsilyl)sulfat
18165-71-4

Methyl(trimethylsilyl)sulfat

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

1-butyl-3-methylimidazolium methylsulfate
401788-98-5

1-butyl-3-methylimidazolium methylsulfate

Conditions
ConditionsYield
at 20℃; for 12h; Product distribution / selectivity;100%
(trimethylsilyl)octylsulfate

(trimethylsilyl)octylsulfate

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

1-n-butyl-3-methylimidazolium octyl sulfate

1-n-butyl-3-methylimidazolium octyl sulfate

Conditions
ConditionsYield
at 20℃; for 12h; Product distribution / selectivity;100%
1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

C8H15N2(1+)*0.39Cl(1-)*0.61F(1-)

C8H15N2(1+)*0.39Cl(1-)*0.61F(1-)

Conditions
ConditionsYield
With potassium fluoride In methanol at 25℃; for 0.5h;100%
1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

C8H15N2(1+)*0.53Cl(1-)*0.47F(1-)

C8H15N2(1+)*0.53Cl(1-)*0.47F(1-)

Conditions
ConditionsYield
With potassium fluoride In methanol at 25℃; for 0.5h;100%
1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

1-butyl-3-methyl-3H-imidazol-1-ium fluoride

1-butyl-3-methyl-3H-imidazol-1-ium fluoride

Conditions
ConditionsYield
With silver fluoride In water at 25℃; for 0.5h;100%
With potassium fluoride In methanol at 20℃; for 0.5h; Green chemistry;95%
Stage #1: 1-butyl-3-methylimidazolium chloride With potassium hydroxide In ethanol for 2h;
Stage #2: With ammonium fluoride In ethanol at 50℃; for 12h;
80%
1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

C8H15N2(1+)*0.525Cl(1-)*0.475F(1-)

C8H15N2(1+)*0.525Cl(1-)*0.475F(1-)

Conditions
ConditionsYield
With silver fluoride In water at 25℃; for 0.5h;100%
trimethyl phosphite
512-56-1

trimethyl phosphite

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

1-butyl-3-methyl-1H-imidazol-3-ium dimethyl phosphate

1-butyl-3-methyl-1H-imidazol-3-ium dimethyl phosphate

Conditions
ConditionsYield
at 100℃; for 2h;100%
at 60℃; for 5h;100%
methyl ester of bis(pentafluoroethyl)phosphinic acid
852616-02-5

methyl ester of bis(pentafluoroethyl)phosphinic acid

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

1-butyl-3-methylimidazolium bis(pentafluoroethyl)phosphinate

1-butyl-3-methylimidazolium bis(pentafluoroethyl)phosphinate

Conditions
ConditionsYield
at 20℃; for 8h; Product distribution / selectivity;100%
bis(pentafluoroethyl)phosphinic acid trimethylsilyl ether
891773-26-5

bis(pentafluoroethyl)phosphinic acid trimethylsilyl ether

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

1-butyl-3-methylimidazolium bis(pentafluoroethyl)phosphinate

1-butyl-3-methylimidazolium bis(pentafluoroethyl)phosphinate

Conditions
ConditionsYield
at 20℃; for 8h; Product distribution / selectivity;100%
aluminium trichloride
7446-70-0

aluminium trichloride

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

1-butyl-3-methylimidazolium heptachlorodialuminate

1-butyl-3-methylimidazolium heptachlorodialuminate

Conditions
ConditionsYield
In neat (no solvent) 1-butyl-3-methylimidazolium chloride was mixed with AlCl3 under N2 for 5min.;100%
E.J. Angueira, M.G. White, J. Mol. Catal. A Chem. 227 (1-2) (2005) 51-58; 238 (2005) 163-174;
dimethylsulfite
616-42-2

dimethylsulfite

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

[bmim][MeSO3]

[bmim][MeSO3]

Conditions
ConditionsYield
at 20℃; for 72h;100%
diethyl sulphite
623-81-4

diethyl sulphite

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

1-butyl-3-methylimidazolium ethylsulfite
919788-10-6

1-butyl-3-methylimidazolium ethylsulfite

Conditions
ConditionsYield
at 60 - 70℃; under 750.075 - 1125.11 Torr; for 30 - 48h; Product distribution / selectivity;100%
1,4-butane sultone
1633-83-6

1,4-butane sultone

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

1-butyl-3-methylimidazolium 4-chlorobutylsulfonate:

1-butyl-3-methylimidazolium 4-chlorobutylsulfonate:

Conditions
ConditionsYield
at 40℃; for 24h; Product distribution / selectivity;100%
In Nitroethane Kinetics; Activation energy;
1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

Amberlyst A-26 (Ibuprofenate form)

Amberlyst A-26 (Ibuprofenate form)

1-butyl-3-methylimidazolium ibuprofenate
1289675-16-6

1-butyl-3-methylimidazolium ibuprofenate

Conditions
ConditionsYield
In acetonitrile100%
1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

mercury dichloride

mercury dichloride

[1-n-butyl-3-methylimidazolium][HgCl3]

[1-n-butyl-3-methylimidazolium][HgCl3]

Conditions
ConditionsYield
In water imidazolium salt and HgCl2 dissolved separately in deionized H2O; mixed; solvent evapd. isothermally under ambient conditions; elem. anal.;100%
In neat (no solvent) under N2; HgCl2 added to imidazolium salt in glass tube; sealed under vac.; heated to 130°C; slowly cooled (3°C/h) to room temp. (25°C); elem. anal.;99%
sodium salicylate
54-21-7

sodium salicylate

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

1-butyl-3-methyl-3H-imidazolium salicylate

1-butyl-3-methyl-3H-imidazolium salicylate

Conditions
ConditionsYield
In acetone for 72h;100%
In acetonitrile at 20℃; for 24h; Inert atmosphere;95%
In acetone for 12h; Reflux;
In acetonitrile at 20℃;
tris(trifluoromethanesulfonium)methylide cesium salt

tris(trifluoromethanesulfonium)methylide cesium salt

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

1-n-butyl-3-methylimidazolium tris(trifluoromethylsulfonyl)methide

1-n-butyl-3-methylimidazolium tris(trifluoromethylsulfonyl)methide

Conditions
ConditionsYield
In dichloromethane at 20℃; for 24h; Schlenk technique; Glovebox;100%
1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

palladium dichloride

palladium dichloride

bis(1-n-buthyl-3-methylimidazolium) tetrachloroplatinate(II)

bis(1-n-buthyl-3-methylimidazolium) tetrachloroplatinate(II)

Conditions
ConditionsYield
In water at 80℃; for 1h;100%
bismuth(III) chloride

bismuth(III) chloride

1-butyl-3-methylimidazolium chloride
79917-90-1

1-butyl-3-methylimidazolium chloride

3C8H15N2(1+)*BiCl6(3-)

3C8H15N2(1+)*BiCl6(3-)

Conditions
ConditionsYield
at 120℃; for 4h;100%

1-Butyl-3-methylimidazolium chloride Specification

1. Introduction of 1-Butyl-3-methylimidazolium chloride
1H-Imidazolium,3-butyl-1-methyl-, chloride, its cas register number is 79917-90-1. It also can be called 1-n-butyl-3-methylimidazolium chloride and 3-Butyl-1-methyl-1H-imidazol-3-ium chloride .

2. Properties of 1-Butyl-3-methylimidazolium chloride
Melting point: 73 °C
Flash Point: 192 °C
Sensitive: Hygroscopic
Appearance of 1H-Imidazolium,3-butyl-1-methyl-, chloride: cream-colored to yellow mass.

3. Structure Descriptors of 1-Butyl-3-methylimidazolium chloride
Canonical SMILES: CCCCN1C=C[N+](=C1)C.[Cl-]
InChI: InChI=1S/C8H15N2.ClH/c1-3-4-5-10-7-6-9(2)8-10;/h6-8H,3-5H2,1-2H3;1H/q+1;/p-1
InChIKey: FHDQNOXQSTVAIC-UHFFFAOYSA-.

4. Toxicity of 1-Butyl-3-methylimidazolium chloride
1H-Imidazolium,3-butyl-1-methyl-, chloride hasn't been listed as a carcinogen by ACGIH, IARC, NTP, or CA Prop 65. And the toxicological properties have not been fully investigated.

5. Safety Information of 1-Butyl-3-methylimidazolium chloride
Hazard Codes: T, N
Risk Statements: 25-36/37/38-51/53-36/38
R25 :Toxic if swallowed.
R36/37/38:Irritating to eyes, respiratory system and skin.
R51/53:Toxic to aquatic organisms, may cause long-term adverse effects in the aquatic environment.
R36/38:Irritating to eyes and skin.
Safety Statements: 26-45-61-22
S26: In case of contact with eyes, rinse immediately with plenty of water and seek medical advice.
S45:In case of accident or if you feel unwell, seek medical advice immediately (show the label whenever possible.)
S61:Avoid release to the environment. Refer to special instructions / safety data sheets.
S22:Do not breathe dust.
RIDADR: UN 2811 6.1/PG 3
WGK Germany: 3
F: 3-10-21

6. Other details of 1-Butyl-3-methylimidazolium chloride
1-Butyl-3-methylimidazolium chloride is hazardous, so the first aid measures and others should be known. Such as: When on the skin: Get medical aid immediately. Immediately flush skin with plenty of water for at least 15 minutes while removing contaminated clothing and shoes. Or in the eyes: Immediately flush eyes with plenty of water for at least 15 minutes, occasionally lifting the upper and lower eyelids. Get medical aid immediately. While, it's inhaled: Get medical aid immediately. Remove from exposure and move to fresh air immediately. If not breathing, give artificial respiration. If breathing is difficult, give oxygen. Then you have the ingesting of the product : Wash mouth out with water, and get medical aid immediately.
1-Butyl-3-methylimidazolium chloride absorbs moisture or water from the air. It should avoid the condition like incompatible materials, exposure to moist air or water. It is not compatible with strong oxidizing agents. And also prevent it to broken down into hazardous decomposition products: carbon hydrogen chloride, nitrogen oxides, carbon monoxide, carbon dioxide. However, its hazardous polymerization has not been reported. In addition, it should be stored in a cool, dry place, stored in a tightly closed container, or stored under nitrogen.

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