1-Benzyl-3-methylimidazolium Tetrafluoroborate

• CAS: 500996-04-3
• Catalog Number: ACM500996043
• Category: Functionized Ionic Liquids
• Molecular Weight: 260.04
• Molecular Formula: C11H13BF4N2
• Synonyms: 1-Methyl-3-benzylimidazoliumtetrafluoroborate
• IUPAC Name: 1-benzyl-3-methylimidazol-3-ium;tetrafluoroborate
• Canonical SMILES: [B-](F)(F)(F)F.C[N+]1=CN(C=C1)CC2=CC=CC=C2
• InChI: 1S/C11H13N2.BF4/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;2-1(3,4)5/h2-8,10H,9H2,1H3;/q+1;-1
• InChI Key: QULDEUUWXMCUFO-UHFFFAOYSA-N
• Melting Point: 62 °C
• Flash Point: Not applicable
• Solubility: soluble in Methanol
• Appearance: White to Light yellow powder to crystal
• Application: Ionic liquid
• Storage: Store under inert gas, -20℃
• Abbreviation: BzMIMBF4
• Chemical Formula: BzMIMBF4
• Complexity: 171
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 2
• Exact Mass: 260.110791g/mol
• Formal Charge: 0
• Hazard Statements: H302 : Harmful if swallowed.H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 5
• H-Bond Donor: 0
• Heavy Atom Count: 18
• MDL Number: MFCD07784449
• Monoisotopic Mass: 260.110791g/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/ eye protection/ face protection.P337 + P313 : If eye irritation persists: Get medical advice/ attention.P305 + P351 + P338 : IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continue rinsing.P302 + P352 : IF ON SKIN: Wash with plenty of soap and water.P332 + P313 : If skin irritation occurs: Get medical advice/ attention.P362 : Take off contaminated clothing and wash before reuse.P301 + P312 + P330 : IF SWALLOWED: Call a POISON CENTER/doctor if you feel unwell. Rinse mouth.
• Refractive Index: n20/D 1.578
• Rotatable Bond Count: 2
• Signal Word: Warning
• Specific Gravity: 1.12

Custom Q&A

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

The molecular formula is C11H13BF4N2.

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

The molecular weight is 260.04 g/mol.

What are the synonyms for 1-benzyl-3-methylimidazolium tetrafluoroborate?

The synonyms include 1-Benzyl-3-methyl-1H-imidazol-3-ium tetrafluoroborate and 1-benzyl-3-methylimidazol-3-ium;tetrafluoroborate.

When was 1-benzyl-3-methylimidazolium tetrafluoroborate created and last modified?

It was created on 2007-02-07 and last modified on 2023-12-30.

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

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

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

The InChIKey is QULDEUUWXMCUFO-UHFFFAOYSA-N.

How many hydrogen bond acceptors does 1-benzyl-3-methylimidazolium tetrafluoroborate have?

It has 5 hydrogen bond acceptors.

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

The topological polar surface area is 8.8 Å2.

How many rotatable bond counts does 1-benzyl-3-methylimidazolium tetrafluoroborate have?

It has 2 rotatable bond counts.

Is 1-benzyl-3-methylimidazolium tetrafluoroborate a canonicalized compound?

Yes, it is a canonicalized compound.

Synthetic Use

Upstream Synthesis Route 1

• 151200-14-5
• 100-51-6

• 500996-04-3

Reference: [1]Tetrahedron Letters,2008,vol. 49,p. 3663 - 3665

Downstream Synthesis Route 1

• 500996-04-3
• 13007-92-6

• 862999-57-3

Reference: [1]Organometallics,2005,vol. 24,p. 4039 - 4048

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