1-ethyl-3-methyl-1H-imidazol-3-ium; tetrafluoroboranuide

• ChemBase ID: 138140
• Molecular Formular: C6H11BF4N2
• Molecular Mass: 197.9695528
• Monoisotopic Mass: 198.09514164
• SMILES: [B-](F)(F)(F)F.CCn1cc[n+](c1)C
• Canonical SMILES: F[B-](F)(F)F.CCn1cc[n+](c1)C
• InChI: InChI=1S/C6H11N2.BF4/c1-3-8-5-4-7(2)6-8;2-1(3,4)5/h4-6H,3H2,1-2H3;/q+1;-1
• InChIKey: CUNYTRQQXKCRTJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-ethyl-3-methyl-1H-imidazol-3-ium; tetrafluoroboranuide
• IUPAC Traditional name: 1-ethyl-3-methylimidazolium tetrafluoroborate
• Synonyms: EMIMBF4; 1-Ethyl-3-methylimidazolium tetrafluoroborate; Basionics® EE 03; 1-乙基-3-甲基咪唑 四氟硼酸盐; 1-乙基-3-甲基咪唑四氟硼酸盐

Database IDs

• CAS Number: 143314-16-3
• EC Number: 000-000-0
• MDL Number: MFCD00216668
• PubChem SID: 24868356; 24864702; 24844952; 162232398; 24845728
• PubChem CID: 2769348

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: 15 °C(lit.); 15°C
• Boiling Point: >350 °C(lit.)
• Flash Point: 113 °C; 235.4 °F; None
• Density: 1.280; 1.294 g/mL at 25 °C(lit.)
• Refractive Index: 1.4100; n20/D 1.41; n20/D 1.413(lit.)
• Conductivity: ~11500 μS/cm

Safety Information

• Storage Warning: Hygroscopic
• European Hazard Symbols: Nature polluting (N); Irritant (Xi); Harmful (Xn)
• German water hazard class: 3
• Risk Statements: 22-51/53; 36/38
• Safety Statements: 26-37; 61
• TSCA Listed: 否
• GHS Pictograms: GHS07
• GHS Signal Word: Warning
• GHS Hazard statements: H302; H315-H319
• GHS Precautionary statements: P280-P305+P351+P338-P302+P352-P321-P362-P332+P313
• Personal Protective Equipment: Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter

Product Information

• Purity: ≥97.0% (HPLC/T); ≥98% (H-NMR); ≥98.5% (T); ≥99.0% (HPLC); 97%; 98+% (dry wt.), may cont. up to 3% water
• Grade: for catalysis; for electrochemistry; produced by BASF
• Impurities: ≤0.02% water; ≤0.5% water; ≤200 ppm water
• Antion Traces: bromide (Br-): ≤10 mg/kg; chloride (Cl-): ≤10 mg/kg; nitrate (NO3-): ≤10 mg/kg; phosphate (PO43-): ≤10 mg/kg; sulfate (SO42-): ≤10 mg/kg
• electrochemical window: -2.2-+3.5 V
• Empirical Formula (Hill Notation): C6H11BF4N2

DETAILS

Sigma Aldrich - 39736

Packaging
5, 50 mL in glass bottle
Application
Ionic Liquids for Catalysis

Sigma Aldrich - 447722

Packaging
5 mL in glass bottle

Sigma Aldrich - 711721

Packaging
1 kg in glass bottle
100 g in glass bottle
Legal Information
Basionics is a registered trademark of BASF SE

Sigma Aldrich - 04365

Other Notes
Air- and water-stable liquid electrolyte (m.p. 15°C)1

REFERENCES

• Ionic liquid.
• Recycling of Os in the dihydroxylation of olefins with Osmium(VIII) oxide, 12103, can be accomplished by the use of this ionic liquid: Tetrahedron Lett., 43, 6849 (2002).