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

• ChemBase ID: 157053
• Molecular Formular: C6H11BrN2
• Molecular Mass: 191.06894
• Monoisotopic Mass: 190.01056036
• SMILES: CCn1cc[n+](c1)C.[Br-]
• Canonical SMILES: CCn1cc[n+](c1)C.[Br-]
• InChI: InChI=1S/C6H11N2.BrH/c1-3-8-5-4-7(2)6-8;/h4-6H,3H2,1-2H3;1H/q+1;/p-1
• InChIKey: GWQYPLXGJIXMMV-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-methyl-1H-imidazol-3-ium bromide
• IUPAC Traditional name: 1-ethyl-3-methylimidazolium bromide
• Synonyms: 1-Ethyl-3-methylimidazolium bromide; EMIMBr; 1-乙基-3-甲基溴化咪唑

Database IDs

• CAS Number: 65039-08-9
• EC Number: 000-000-0
• MDL Number: MFCD03427610
• Beilstein Number: 5162084
• PubChem SID: 24845621; 24889227; 162251190
• PubChem CID: 2734235

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: 70-73°C

Safety Information

• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/37/38; 36/38
• Safety Statements: 26; 26-37
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H315-H319; H315-H319-H335
• GHS Precautionary statements: P261-P305 + P351 + P338; P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: dust mask type N95 (US), Eyeshields, Gloves

Product Information

• Purity: ≥97.0% (T); ≥98.5% (HPLC/T); 98+%
• Impurities: ≤200 ppm water
• Empirical Formula (Hill Notation): C6H11BrN2

DETAILS

Sigma Aldrich - 89483

Other Notes
Hydrophobic, highly conductive imidazolium molten salt melting at ambient temp.1
Packaging
5, 50 g in poly bottle