Completing data — usually done within a minute
Basic information
- Standard SMILES
CCCCn1cc[n+](C)c1.[Cl-]- InChIKey
FHDQNOXQSTVAIC-UHFFFAOYSA-M- Molecular formula
- C8H15ClN2
- Average molar mass
- 174.675 g/mol
- Monoisotopic mass
- 174.09237616
Names & identifiers
- Preferred name
- 1-Butyl-3-methylimidazolium chloride
- IUPAC
- 1-Butyl-3-methyl-1H-imidazol-3-ium chloride
- English name
- 1-Butyl-3-methylimidazolium chloride
- Molecular formula
- C8H15ClN2
- Molecular weight
- 174.67
Names & synonyms
Database identifiers
- CAS
79917-90-1- PubChem CID
- 2734161
- DTXSID
DTXSID6031461- ChEMBL
CHEMBL3183408- UNII
- 41PS77334A
- EC Number
- 460-120-8、627-110-7
Properties
Physicochemical properties
- Melting point
- 70 °C · ~70 °C
- Density
- 25 · d25 1.08 (dried)
- Flash point
- 192 °C · 192 °C
- storage temp.
- Inert atmosphere,Room Temperature
- solubility
- DMSO (Slightly), Methanol (Sparingly)
- form
- Mass
- color
- Cream to yellow
- Water Solubility
- Soluble in acetone, acetonitrile, hot ethyl acetate, isopropyl alcohol, methylene chloride and methanol. Insoluble in water, hexane and toluene,
- Sensitive
- Hygroscopic
- BRN
- 6449277 · 6449277
- Stability
- hygroscopic
- Major Application
- battery manufacturing
- 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-M
- SMILES
- N1(CCCC)C=C[N+](C)=C1.[Cl-]
- CAS DataBase Reference
- 79917 · 79917-90-1(CAS DataBase Reference)
- FDA UNII
- 41 PS77334A · 41PS77334A
- EPA Substance Registry System
- 1 H-Imidazolium, · 1H-Imidazolium, 3-butyl-1-methyl-, chloride (1:1) (79917-90-1)
- UNSPSC Code
- 12352200 · 12352200
- NACRES
- 23 · NA.23
- Symbol(GHS)
- 6 · GHS06,GHS09
- Signal word
- Danger
- Hazard statements
- 301 · H301-H315-H319-H411
- Precautionary statements
- 264 · P264-P270-P273-P301+P310-P302+P352-P305+P351+P338
- Hazard Codes
- T,N
- Risk Statements
- 25 · 25-36/37/38-51/53-36/38
- Safety Statements
- 26 · 26-45-61-22
- RIDADR
- 2811 · UN 2811 6.1/PG 3
- WGK Germany
- 3 · 3
- F
- 3 · 3-10-21
- HazardClass
- 6.1 · 6.1
- PackingGroup
- III
- HS Code
- 29332900 · 29332900
- Storage Class
- 6.1 C · 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- Hazard Classifications
- 3 OralAquatic · Acute Tox. 3 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2
- REACH Registrations
- Active
Safety & regulation
Safety data
- F
- 3-10-21
- wgk
- 3
- ridadr
- UN 2811 6.1/PG 3
- hs_code
- 29332900
- risk_code
- 25-36/37/38-51/53-36/38
- Signal word
- Danger
- Symbol(GHS)
- GHS06,GHS09
- hazard_code
- T,N
- safety_code
- 26-45-61-22
- hazard_class
- 6.1
- Storage Class
- 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects
- packing_group
- III
- Hazard statements
- H301-H315-H319-H411
- REACH Registrations
- Active
- Hazard Classifications
- Acute Tox. 3 OralAquatic Chronic 2Eye Irrit. 2Skin Irrit. 2
- Precautionary statements
- P264-P270-P273-P301+P310-P302+P352-P305+P351+P338
Chemistry & industry
Applications
Description1-butyl-3-methylimidazolium chloride is a highly efficient direct solvent for the dissolution and regeneration of cellulose. During the precipitation of the regenerated cellulose, large volumes of dilute IL aqueous solutions are produced. This compound, an imidazolium-based ionic liquid, is considered the representative emerging persistent aquatic pollutant, and its environmental toxicity has attracted growing concern[1].
Uses1-Butyl-3-methylimidazolium chloride can be used as a precursor for the preparation of other ionic liquids by anion metathesis.
Uses1-Butyl-3-methylimidazolium chloride in combination with aluminium chloride forms an organoaluminate molten salt, which can act as an acidic catalyst for the alkylation of isobutane with 2-butene.
General Description1-Butyl-3-methylimidazolium chloride is an imidazolium based ionic liquid.
Upstream & downstream products
Upstream raw materials
Downstream products
Suppliers50 total
Related reactions
Linked notes
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