Description

3-Allyl-1-vinyl-1H-imidazol-3-ium Chloride (CAS No. 100894-64-2) is a high-purity ionic liquid compound with the molecular formula C₈H₁₁ClN₂. This specialized chemical features a unique imidazolium core functionalized with both allyl and vinyl groups, making it a versatile intermediate for advanced organic synthesis and materials science applications. The product is supplied as a solid or solution (upon request) with ≥95% purity (HPLC), ensuring consistency for research and industrial processes. Its well-defined structure (IUPAC name: 1-ethenyl-3-prop-2-enylimidazol-3-ium;chloride) enables precise modifications in polymerization reactions, particularly for creating functionalized ionic liquids or conductive polymers. Strict quality control guarantees low levels of halide impurities and optimal stability under inert atmosphere storage conditions.

Key applications include use as a monomer for poly(ionic liquid)s, crosslinking agent for smart hydrogels, and precursor for N-heterocyclic carbene (NHC) catalysts. The compound’s dual reactive groups (allyl/vinyl) offer exceptional flexibility in click chemistry and post-synthetic modifications. Available in research quantities (1g to 100g) with optional custom packaging. SDS and analytical certificates provided with all orders.

Properties

• CAS Number: 100894-64-2
• Complexity: 131
• IUPAC Name: 1-allyl-3-vinyl-imidazol-1-ium;chloride
• InChI: InChI=1S/C8H11N2.ClH/c1-3-5-10-7-6-9(4-2)8-10;/h3-4,6-8H,1-2,5H2;1H/q+1;/p-1
• InChI Key: JPYCEKOMLYESGW-UHFFFAOYSA-M
• Exact Mass: 170.0610761
• Molecular Formula: C8H11ClN2
• Molecular Weight: 170.64
• SMILES: C=CC[N+]1=CN(C=C1)C=C.[Cl-]
• Topological: 8.8
• Monoisotopic Mass: 170.0610761
• Synonyms: 100894-64-2, 3-Allyl-1-vinyl-1H-imidazol-3-ium Chloride, 998-036-3, 1-ALLYL-3-VINYLIMIDAZOLIUM CHLORIDE, 1-Allyl-3-vinyl-3-imidazolium Chloride, MFCD30722452, 1-ethenyl-3-prop-2-enylimidazol-3-ium;chloride, SCHEMBL3791296, SCHEMBL3791298, AC8422, ZB1685, 1-allyl-3-vinyl imidazolium chloride, SY059144, DB-311774

Application

This compound serves as a key building block for synthesizing task-specific ionic liquids with tunable physicochemical properties. Researchers utilize it to develop conductive polymer electrolytes for energy storage devices and electrochemical sensors. The reactive functional groups enable covalent attachment to silica surfaces or biomolecules for hybrid material fabrication. In catalysis, it acts as a precursor for NHC-metal complexes used in asymmetric organic transformations.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]

Precautionary Statements

• P264, P264+P265, P280, P302+P352, P305+P351+P338, P321, P332+P317, P337+P317, and P362+P364

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2 (100%)

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Disclaimer: Sold exclusively for laboratory research. Prohibited for commercial use, diagnostics, or human/animal applications. Buyers assume all compliance liability.