1-ethyl-3-methyl-1H-imidazol-3-ium chloride

• ChemBase ID: 125157
• Molecular Formular: C6H11ClN2
• Molecular Mass: 146.61794
• Monoisotopic Mass: 146.06107604
• SMILES: CCn1cc[n+](c1)C.[Cl-]
• Canonical SMILES: CCn1cc[n+](c1)C.[Cl-]
• InChI: InChI=1S/C6H11N2.ClH/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1
• InChIKey: BMQZYMYBQZGEEY-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-methyl-1H-imidazol-3-ium chloride
• IUPAC Traditional name: 1-ethyl-3-methylimidazolium chloride
• Synonyms: [EMIM]Cl; 1-Ethyl-3-methylimidazolium chloride; EMIMCl; Basionics® ST 80; 1-Ethyl-3-methylimidazolium chloride; 1-乙基-3-甲基咪唑氯; 氯化 1-乙基-3-甲基咪唑鎓

Database IDs

• CAS Number: 65039-09-0
• MDL Number: MFCD00074843
• Beilstein Number: 5163190
• PubChem SID: 24877788; 24886272; 24856479; 24858613; 162219507
• PubChem CID: 2734160
• CHEBI ID: 61327
• Chemspider ID: 2015916
• Wikipedia Title: 1-Ethyl-3-methylimidazolium_chloride

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): -3.1130686
• LogD (pH = 7.4): -3.1130686
• Log P: -3.1130686
• Molar Refractivity: 33.6013 cm^3
• Polarizability: 12.75589 Å^3
• Polar Surface Area: 8.81 Å^2
• Rotatable Bonds: 1
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 77-79 °C; 77-79 °C(lit.); 77-80°C
• Flash Point: 186 °C; 186°C(367°F); 366.8 °F

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 2
• Risk Statements: 36/38
• Safety Statements: 26; 26-37
• TSCA Listed: 是
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H413
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313; P305 + P351 + P338
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥95%; ≥98.0% (T); ≥98.5% (AT); 98%; 98+%
• Grade: produced by BASF; purum
• Impurities: ≤300 ppm water
• Empirical Formula (Hill Notation): C6H11ClN2

DETAILS

Sigma Aldrich - 272841

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 53096

Packaging
5, 25 g in glass bottle

Sigma Aldrich - 30764

Other Notes
prices for bulk quantities on request
Packaging
1 kg in glass bottle
100 g in glass bottle
Application
Basionic Ionic Liquids
Legal Information
Basionics is a registered trademark of BASF SE

Sigma Aldrich - 72924

Other Notes
Ionic liquid for clean technology: an update1