1-Hexyl-3-methylimidazolium tetrafluoroborate

• CAS: 244193-50-8
• Catalog Number: ACM244193508
• Category: Imidazolium Ionic Liquids
• Molecular Weight: 254.08
• Molecular Formula: C10H19BF4N2
• Description: Enzyme catalysis in ionic liquids
• Synonyms: HMIMBF4
• IUPAC Name: 1-hexyl-3-methylimidazol-3-ium;tetrafluoroborate
• Canonical SMILES: [B-](F)(F)(F)F.CCCCCCN1C=C[N+](=C1)C
• InChI: 1S/C10H19N2.BF4/c1-3-4-5-6-7-12-9-8-11(2)10-12;2-1(3,4)5/h8-10H,3-7H2,1-2H3;/q+1;-1
• InChI Key: MFXLOVLEQJRXFP-UHFFFAOYSA-N
• Boiling Point: >350 °C (lit.)
• Melting Point: 25-35 °C
• Flash Point: No data available
• Density: 1.15 g/cm³ (24 °C)
• Appearance: Light yellow to Brown clear liquid
• Application: Metal Plating, Electropolishing, Metal Reprocessing, Phase transfer media, Batteries Fuel Cells, Nanomaterials, Industrial Solvents, Nuclear Fuel Red Waste, Enzymatic Catalysis, Lubricants Heat Transfer and Solar Energy Conversion.
• Storage: Store under inert gas, 2-8°C
• Abbreviation: HMIMBF4
• Chemical Formula: HMIMBF4
• Complexity: 134
• Condition To Avoid: Moisture Sensitive
• Covalently-Bonded Unit Count: 2
• Exact Mass: 254.157741g/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: 17
• MDL Number: MFCD03095459
• Monoisotopic Mass: 254.157741g/mol
• Precautionary Statements: P501 : Dispose of contents/ container to an approved waste disposal plant.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 1.430
• Rotatable Bond Count: 5
• Signal Word: Danger
• Specific Gravity: 1.15
• Viscosity: 288 cP (20 °C)

Custom Q&A

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

The molecular formula is C10H19BF4N2.

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

Some synonyms include 1-hexyl-3-methylimidazol-3-ium;tetrafluoroborate and DTXSID8049252.

When was 1-hexyl-3-methylimidazolium tetrafluoroborate created?

It was created on 2005-07-19.

What is the computed IUPAC name for 1-hexyl-3-methylimidazolium tetrafluoroborate?

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

What is the canonical SMILES for 1-hexyl-3-methylimidazolium tetrafluoroborate?

The canonical SMILES is [B-](F)(F)(F)F.CCCCCCN1C=C[N+](=C1)C.

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

The molecular weight is 254.08 g/mol.

What are some other identifiers for 1-hexyl-3-methylimidazolium tetrafluoroborate?

Other identifiers include CAS number 244193-50-8 and DSSTox Substance ID DTXSID8049252.

How many hydrogen bond acceptor counts does 1-hexyl-3-methylimidazolium tetrafluoroborate have?

It has 5 hydrogen bond acceptor counts.

What is the topological polar surface area of 1-hexyl-3-methylimidazolium tetrafluoroborate?

The topological polar surface area is 8.8 Ų.

Is the compound canonicalized?

Yes, the compound is canonicalized according to PubChem.

Synthetic Use

Upstream Synthesis Route 1

• 171058-17-6

• 244193-50-8

Reference: [1]Patent: WO2006/63653,2006,A1 .Location in patent: Page/Page column 19

Upstream Synthesis Route 2

• 85100-78-3

• 244193-50-8

Reference: [1]Tetrahedron Letters,2002,vol. 43,p. 5381 - 5383
[2]Journal of Physical Chemistry B,2004,vol. 108,p. 5113 - 5119
[3]Angewandte Chemie - International Edition,2007,vol. 46,p. 5384 - 5388
[4]Spectrochimica Acta, Part A: Molecular and Biomolecular Spectroscopy,2012,vol. 97,p. 137 - 143,7

Upstream Synthesis Route 3

• 616-47-7
• 111-25-1

• 244193-50-8

Reference: [1]Synthesis,2003,p. 2626 - 2628
[2]Journal of Fluorine Chemistry,2008,vol. 129,p. 108 - 111