1-Benzyl-3-methylimidazolium chloride

• CAS: 36443-80-8
• Catalog Number: ACM36443808
• Category: Functionized Ionic Liquids
• Molecular Weight: 208.69
• Molecular Formula: C11H13ClN2
• Synonyms: 1-Methyl-3-benzylimidazoliumchloride
• IUPAC Name: 1-benzyl-3-methylimidazol-3-ium;chloride
• Canonical SMILES: C[N+]1=CN(C=C1)CC2=CC=CC=C2.[Cl-]
• InChI: 1S/C11H13N2.ClH/c1-12-7-8-13(10-12)9-11-5-3-2-4-6-11;/h2-8,10H,9H2,1H3;1H/q+1;/p-1
• InChI Key: FCRZSGZCOGHOGF-UHFFFAOYSA-M
• Melting Point: 80 °C
• Flash Point: Not applicable
• Appearance: White to Almost white powder to crystal
• Application: Ionic liquid
• Storage: Store under inert gas, -20℃
• Abbreviation: BzMIMCl
• Chemical Formula: BzMIMCl
• Complexity: 152
• Condition To Avoid: Hygroscopic
• Covalently-Bonded Unit Count: 2
• Exact Mass: 208.076726g/mol
• Formal Charge: 0
• Hazard Statements: H315 : Causes skin irritation.H319 : Causes serious eye irritation.
• H-Bond Acceptor: 1
• H-Bond Donor: 0
• Heavy Atom Count: 14
• MDL Number: MFCD07784451
• Monoisotopic Mass: 208.076726g/mol
• Precautionary Statements: 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.
• Refractive Index: n20/D 1.578
• Rotatable Bond Count: 2
• Signal Word: Warning
• Specific Gravity: 1.31

Custom Q&A

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

The molecular formula is C11H13ClN2.

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

The molecular weight is 208.69 g/mol.

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

Some synonyms include 1-Benzyl-3-methyl-1H-imidazol-3-ium chloride and 1-Methyl-3-benzylimidazolium chloride.

When was 1-benzyl-3-methylimidazolium chloride created?

It was created on October 25, 2006.

What is the InChIKey for 1-benzyl-3-methylimidazolium chloride?

The InChIKey is FCRZSGZCOGHOGF-UHFFFAOYSA-M.

How many hydrogen bond acceptor counts does 1-benzyl-3-methylimidazolium chloride have?

It has 1 hydrogen bond acceptor count.

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

The topological polar surface area is 8.8 Å2.

How many covalently-bonded unit counts does 1-benzyl-3-methylimidazolium chloride have?

It has 2 covalently-bonded unit counts.

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

Yes, it is canonicalized according to PubChem.

What is the CAS number for 1-benzyl-3-methylimidazolium chloride?

The CAS number is 36443-80-8.

Synthetic Use

Upstream Synthesis Route 1

• 616-47-7
• 100-44-7

• 36443-80-8

Reference: [1]Erdmenger, Tina; Vitz, Juergen; Wiesbrock, Frank; Schubert, Ulrich S.
[Journal of Materials Chemistry, 2008, vol. 18, # 43, p. 5267 - 5273]