1-Butyl-3-methylimidazolium Tetrafluoroborate

• CAS: 174501-65-6
• Catalog Number: ACM174501656
• Category: Imidazolium Ionic Liquids
• Molecular Weight: 226.03
• Molecular Formula: C8H15BF4N2
• Description: 1-Butyl-3-methylimidazolium tetrafluoroborate is a hydrophilic room temperature ionic liquid (RTIL). It can be used as a reaction medium for the preparation NH4TiOF3 mesocrystals, which are converted into TiO2 based nanostructures. It can also be used as an electrolyte in lithium-ion batteries and double layer capacitors.
• Synonyms: BMIMBF4
• IUPAC Name: 1-butyl-3-methylimidazol-3-ium;tetrafluoroborate
• Canonical SMILES: [B-](F)(F)(F)F.CCCCN1C=C[N+](=C1)C
• InChI: InChI=1S/C8H15N2.BF4/c1-3-4-5-10-7-6-9(2)8-10;2-1(3,4)5/h6-8H,3-5H2,1-2H3;/q+1;-1
• InChI Key: LSBXQLQATZTAPE-UHFFFAOYSA-N
• Melting Point: -40 °C
• Flash Point: 550.4 °F
• Density: 1.30 g/cm³
• Appearance: Colorless to Light orange to Yellow clear liquid
• Application: Imidazole; Special synthesis; Ionic liquids
• Storage: Store under inert gas
• Abbreviation: BMIMBF4
• Chemical Formula: BMIMBF4
• Complexity: 112
• Condition To Avoid: Moisture Sensitive
• Covalently-Bonded Unit Count: 2
• Exact Mass: 226.126441g/mol
• Formal Charge: 0
• Hazard Statements: H302 : Harmful if swallowed.H314 : Causes severe skin burns and eye damage.H411 : Toxic to aquatic life with long lasting effects.
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 15
• MDL Number: MFCD03095449
• Monoisotopic Mass: 226.126441g/mol
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.P273 : Avoid release to the environment.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.P391 : Collect spillage.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: 1.42
• Rotatable Bond Count: 3
• Signal Word: Danger
• Specific Gravity: 1.21
• UNII: T2TVZ2306T
• Viscosity: 104 cP

Custom Q&A

What is the molecular formula of 1-butyl-3-methylimidazolium tetrafluoroborate?

Molecular formula of 1-butyl-3-methylimidazolium tetrafluoroborate is C8H15BF4N2.

When was 1-butyl-3-methylimidazolium tetrafluoroborate created and modified?

It was created on 2005-07-19 and last modified on 2023-12-30.

What is the IUPAC name of 1-butyl-3-methylimidazolium tetrafluoroborate?

The IUPAC name is 1-butyl-3-methylimidazol-3-ium;tetrafluoroborate.

What is the Canonical SMILES representation of 1-butyl-3-methylimidazolium tetrafluoroborate?

The Canonical SMILES representation is [B-](F)(F)(F)F.CCCCN1C=C[N+](=C1)C.

What is the molecular weight of 1-butyl-3-methylimidazolium tetrafluoroborate?

The molecular weight is 226.03 g/mol.

How many hydrogen bond acceptor counts are there in 1-butyl-3-methylimidazolium tetrafluoroborate?

There are 5 hydrogen bond acceptor counts.

What is the heavy atom count in 1-butyl-3-methylimidazolium tetrafluoroborate?

The heavy atom count is 15.

Is the compound canonicalized?

Yes, the compound is canonicalized.

What is the InChIKey of 1-butyl-3-methylimidazolium tetrafluoroborate?

LSBXQLQATZTAPE-UHFFFAOYSA-N

What are some synonyms for 1-butyl-3-methylimidazolium tetrafluoroborate?

Some synonyms include BMIMBF4, 3-Butyl-1-methyl-1H-imidazol-3-ium tetrafluoroborate, and 1-n-Butyl-3-Methylimidazolium Tetrafluoroborate.

Synthetic Use

Upstream Synthesis Route 1

• 98-86-2
• 671779-18-3

• 7063-21-0
• 174501-65-6

Reference: [1] Tetrahedron Letters, 2005, vol. 46, # 12, p. 2141 - 2145

Downstream Synthesis Route 1

• 174501-65-6

• 119393-94-1

Reference: [1]Advanced Synthesis and Catalysis,2009,vol. 351,p. 2067 - 2070
[2]Electrochimica Acta,2013,vol. 109,p. 95 - 101
[3]Synthetic Communications,2007,vol. 37,p. 399 - 408
[4]Electrochimica Acta,2013,vol. 109,p. 95 - 101

Downstream Synthesis Route 2

• 174501-65-6
• 10387-40-3

• 1534-08-3
• 928-47-2
• 119393-94-1

Reference: [1]Synthetic Communications,2007,vol. 37,p. 399 - 408

* For details of the synthesis route, please refer to the original source to ensure accuracy.