1-Ethyl-3-methylimidazolium chloride
EMIM CL · EMIC · 1-Ethyl-3-methylimidazole chloride · 1-ethyl-3-Methyl-1H-iMidazol-3-iuM chloride · SKL1487 · SKL1551 · SKL1554 · SKL1344
Identifiers & Physical Properties
| CAS No. | 65039-09-0 |
|---|---|
| Molecular formula | C6H11ClN2 |
| Average molar mass | 146.62 g/mol |
| Monoisotopic mass | 146.06107603 g/mol |
| SMILES | CCn1cc[n+](C)c1.[Cl-] |
| InChIKey | BMQZYMYBQZGEEY-UHFFFAOYSA-M |
| PubChem CID | 2734160 |
| ChEMBL | CHEMBL3184109 |
| ChEBI | CHEBI:61327 |
| EC No. | 613-739-4 |
| DTXSID | DTXSID1041180 |
Chemical & Physical Properties
| Topological polar surface area | 8.8 |
|---|---|
| Hydrogen bond donors | 0 |
| Hydrogen bond acceptors | 1 |
| Rotatable bonds | 1 |
| Heavy atoms | 9 |
| Formal charge | 0 |
| Complexity | 72.9 |
| Melting point | 77-79 °C(lit.) |
| Density | 1.435 g/cm3 |
| Vapor pressure | 0Pa at 20-50℃ |
| Flash point | 186 °C |
| Storage conditions | Store below +30°C. |
| Physical state | Agglomerating Crystalline Powder |
| Color | Pale yellow |
| Solubility | Soluble in water. |
| Sensitivity | Hygroscopic |
| BRN | 5163190 |
| Stability | Stable. Very hygroscopic. Incompatible with strong oxidizing agents. |
| InChI | 1S/C6H11N2.ClH/c1-3-8-5-4-7(2)6-8/h4-6H,3H2,1-2H31H/q+1/p-1 |
| InChIKey | BMQZYMYBQZGEEY-UHFFFAOYSA-M |
| SMILES | [Cl-].CCn1cc[n+](C)c1 |
| LogP (partition coefficient) | -2.6 at 23℃ and pH6.6 |
| CAS DataBase Reference | 65039-09-0(CAS DataBase Reference) |
| FDA UNII | PH90AQ1E93 |
| EPA Substance Registry System | 1H-Imidazolium, 3-ethyl-1-methyl-, chloride (1:1) (65039-09-0) |
| UNSPSC Code | 12352107 |
| NACRES | NA.23 |
| GHS pictogram | GHS07 |
| Signal word | Warning |
| GHS hazard statements | H302-H319 |
| GHS precautionary statements | P264-P270-P280-P301+P312-P305+P351+P338-P337+P313 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Hazard symbols | Xi,N,T |
| Risk statements (R) | 36/38-51/53-36/37/38-25 |
| Safety statements (S) | 26-57-45-37/39-29 |
| UN transport number | 2811 |
| Water hazard class (WGK) | 2 |
| F | 3-10 |
| TSCA inventory status | TSCA listed |
| Customs code | 2933 29 90 |
| Storage class | 11 - Combustible Solids |
| Hazard class | Acute Tox. 4 OralEye Irrit. 2 |
| REACH registrations | Active |
Safety & Regulations
| GHS classification | WarningH302 (70.3%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P280, P301+P317, P302+P352, P305+P351+P338, P321, P330, P332+P317, P337+P317, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 155 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatory information | PMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.Status: Active Update: 13-09-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/16488 |
| Hazard Classes and Categories | Acute Tox. 4 (70.3%) |
| F | 3-10 |
| Personal protective equipment (PPE) | dust mask type N95 (US), Eyeshields, Gloves |
| Water hazard class (WGK) | 2 |
| TSCA inventory status | TSCA listed |
| UN transport number | 2811 |
| Customs code | 2933 29 90 |
| Risk statements (R) | 36/38-51/53-36/37/38-25 |
| Signal word | Warning |
| GHS pictogram | GHS07 |
| Hazard symbols | Xi,N,T |
| Safety statements (S) | 26-57-45-37/39-29 |
| Storage class | 11 - Combustible Solids |
| GHS hazard statements | H302-H319 |
| REACH registrations | Active |
| Hazard class | Acute Tox. 4 OralEye Irrit. 2 |
| GHS precautionary statements | P264-P270-P280-P301+P312-P305+P351+P338-P337+P313 |
Applications & Uses
Uses
Used in cellulose processing.
Uses
1-Ethyl-3-methylimidazolium chloride is an imidazolium chloride ionic liquid that can be used as:A starting material for the preparation of 1-ethyl-3-methylimidazolium chloride/tetrafluoroborate (EMI.Cl.BF4) molten salt for electrochemical studies.A solvent as well as catalyst for the depolymerization of oak wood lignin.A solvent in the hydrolysis of hemicellulose (xylan) to xylose using Brnsted acid catalysts.
General Description
1-Ethyl-3-methylimidazolium chloride is an organic salt and a room-temperature ionic liquid (RTIL). It is used as a solvent in many organic reactions due to its unique properties like small vapor pressures, high thermal stabilities and ionic conductivities.