1-Butyl-2,3-dimethylimidazolium Tetrafluoroborate

• CAS: 402846-78-0
• Catalog Number: ACM402846780
• Category: Imidazolium Ionic Liquids
• Molecular Weight: 240.05
• Molecular Formula: C9H17BF4N2
• Description: 1-Butyl-2,3-dimethylimidazolium tetrafluoroborate is a task-specific ionic liquid. It can be used as a solvent when lipase needs to be recycled during lipase-catalyzed transesterification with vinyl acetate as acyl donor.
• Synonyms: [BDMIM][BF4]
• IUPAC Name: 1-butyl-2,3-dimethylimidazol-3-ium;tetrafluoroborate
• Canonical SMILES: [B-](F)(F)(F)F.CCCCN1C=C[N+](=C1C)C
• InChI: 1S/C9H17N2.BF4/c1-4-5-6-11-8-7-10(3)9(11)2;2-1(3,4)5/h7-8H,4-6H2,1-3H3;/q+1;-1
• InChI Key: VCAIYEJBOWHUGP-UHFFFAOYSA-N
• Melting Point: 37 °C
• Flash Point: Not applicable
• Density: 1.198 g/mL at 20 °C(lit.)
• Solubility: insoluble in Ether,Toluene;soluble in Methanol,Dichloromethane
• Appearance: White or Colorless to Yellow powder to lump to clear liquid
• Application: Ionic liquid
• Storage: Store under inert gas, -20℃
• Abbreviation: BDMIMBF4
• Chemical Formula: BDMIMBF4
• Complexity: 133
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 2
• Exact Mass: 240.142091g/mol
• Formal Charge: 0
• Hazard Statements: H302 : Harmful if swallowed.H314 : Causes severe skin burns and eye damage.
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 16
• MDL Number: MFCD12761437
• Monoisotopic Mass: 240.142091g/mol
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P260 : Do not breathe dusts or mists.P270 : Do not eat, drink or smoke when using this product.P264 : Wash skin thoroughly after handling.P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection.P303 + P361 + P353 : IF ON SKIN (or hair): Take off immediately all contaminated clothing. Rinse skin with water/shower.P301 + P330 + P331 : IF SWALLOWED: Rinse mouth. Do NOT induce vomiting.P363 : Wash contaminated clothing before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.P304 + P340 + P310 : IF INHALED: Remove person to fresh air and keep comfortable for breathing. Immediately call a POISON CENTER/doctor.P305 + P351 + P338 + P310 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing. Immediately call a POISON CENTER/doctor.P405 : Store locked up.
• Refractive Index: n20/D 1.578
• Rotatable Bond Count: 3
• Signal Word: Danger
• Specific Gravity: 1.29
• Viscosity: 172 cP (45 °C)

Synthetic Use

Upstream Synthesis Route 1

• 1739-84-0
• 109-65-9

• 402846-78-0

Reference: [1]Xu, Dan-Qian; Liu, Bao-You; Luo, Shu-Ping; Xu, Zhen-Yuan; Shen, Yin-Chu
[Synthesis, 2003, # 17, p. 2626 - 2628]