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

• ChemBase ID: 11925
• Molecular Formular: C7H11F3N2O3S
• Molecular Mass: 260.2340496
• Monoisotopic Mass: 260.04424788
• SMILES: c1[n+](cn(c1)CC)C.[O-]S(=O)(=O)C(F)(F)F
• Canonical SMILES: [O-]S(=O)(=O)C(F)(F)F.CCn1cc[n+](c1)C
• InChI: InChI=1S/C6H11N2.CHF3O3S/c1-3-8-5-4-7(2)6-8;2-1(3,4)8(5,6)7/h4-6H,3H2,1-2H3;(H,5,6,7)/q+1;/p-1
• InChIKey: ZPTRYWVRCNOTAS-UHFFFAOYSA-M

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-methyl-1H-imidazol-3-ium trifluoromethanesulfonate
• IUPAC Traditional name: 1-ethyl-3-methylimidazolium triflate
• Synonyms: 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate; Basionics® VS 11; EMIM Otf; 1-Ethyl-3-methylimidazolium trifluoromethanesulfonate; 1-Ethyl-3-methylimidazolium triflate; 1-乙基-3-甲基咪唑三氟甲磺酸盐; 1-乙基-3-甲基咪唑 三氟甲烷磺酸盐98+%

Database IDs

• CAS Number: 145022-44-2
• EC Number: 000-000-0
• MDL Number: MFCD00210008
• PubChem SID: 160975232; 24845729; 24844946; 24885609; 24867314
• PubChem CID: 2758874

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: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: >350 °C(lit.)
• Flash Point: 113 °C; 235.4 °F; None
• Density: 1.387; 1.387 g/mL at 25 °C(lit.)
• Refractive Index: 1.4350; n20/D 1.434; n20/D 1.435; n20/D 1.435(lit.)

Safety Information

• Storage Warning: IRRITANT
• European Hazard Symbols: Irritant (Xi)
• German water hazard class: 3
• Risk Statements: 36/38
• Safety Statements: 26-37
• TSCA Listed: false; 否
• GHS Pictograms: GHS07
• GHS Hazard statements: H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: Eyeshields, Gloves; Eyeshields, Gloves, half-mask respirator (US), multi-purpose combination respirator cartridge (US)

Product Information

• Purity: ≥98% (H-NMR); ≥98.0% (T); ≥98.5% (T); ≥99.0% (T); 97%; 98+%
• Grade: for catalysis; for electrochemistry; produced by BASF
• Impurities: ≤0.1% water; ≤0.5% water; ≤1000 ppm water; ≤200 ppm water
• Antion Traces: bromide (Br-): ≤10 mg/kg; bromide (Br-): ≤5 mg/kg; chloride (Cl-): ≤10 mg/kg; chloride (Cl-): ≤5 mg/kg; fluoride (F-): ≤10 mg/kg; nitrate (NO3-): ≤10 mg/kg; phosphate (PO43-): ≤10 mg/kg; sulfate (SO42-): ≤100 mg/kg; sulfate (SO42-): ≤50 mg/kg
• Empirical Formula (Hill Notation): C7H11F3N2O3S

DETAILS

Sigma Aldrich - 711756

Packaging
1 kg in glass bottle
100 g in glass bottle
Legal Information
Basionics is a registered trademark of BASF SE
Protocols & Applications
Ionic Liquids for Energy Storage Applications

Sigma Aldrich - 436941

Application
Recently used in the preparation of hydrophobic, highly conductive ambient-temperature molten salts,1 and in the preparation of dual intercalating molten electrolyte batteries.2
Packaging
1, 5 mL in glass bottle

Sigma Aldrich - 04367

Other Notes
Ionic liquid stable to air and water useful for electrochemical purposes (molten salt technique) exhibiting an electrochemical stability window of ≥4 V and being stable to up to 350 C1

REFERENCES

• Ionic liquid.