1-Hexadecyl-3-Methylimidazolium Bis((Trifluoromethyl)Sulfonyl)Imide: Understanding Its Substance and Application

What is 1-Hexadecyl-3-Methylimidazolium Bis((Trifluoromethyl)Sulfonyl)Imide?

In the chemical landscape, 1-Hexadecyl-3-Methylimidazolium Bis((Trifluoromethyl)Sulfonyl)Imide, often abbreviated as C20H39F6N3O4S2, stands out with a structure built from an imidazolium core, fused to a hexadecyl chain, partnered with the powerful bis(trifluoromethyl)sulfonyl imide anion. Chemists, material scientists, and industrial engineers turn to this compound for its remarkable blend of stability and versatility. It remains a staple among room-temperature ionic liquids, popular for their negligible vapor pressure and strong solvating power, shaping solutions from green chemistry to electronics.

Properties and Structure

Examining the actual structure, the molecule divides into a cation and anion, the long alkyl chain of 1-hexadecyl-3-methylimidazolium adding hydrophobic character, the anion granting both electrochemical stability and resistance to strong acids or bases. I have often seen samples appear as colorless or off-white powders, flakes, even crystals, depending on storage and moisture content. As a solid, it delivers a waxy feel between the fingers, melting around 42-45 °C—not far from the warmth of your palm. Densities typically range from 1.2 to 1.3 g/cm3, so it's heavier than water by a fair bit. Handling the substance without proper knowledge, my own experience points to its slipperiness and resistance to dissolving in plain water, yet it blends with polar organic solvents readily.

Material Specifications and Forms

Current industrial demand has shaped the product into several forms: solid flakes, fine powders, nearly spherical pearls, even solutions prepared for synthesis tasks. The choice depends on the application. You might see a chemist scoop out crystalline pellets by the gram or a manufacturing engineer order it by the liter when diluted in organic solvents. Its purity leans high, usually above 98%, thanks to strict controls in raw material sourcing. Reputable suppliers publish COAs specifying water and halide content, since trace impurities disturb sensitive catalytic work.

Molecular Formula, Density, and Other Physical Data

The chemical formula, C20H39F6N3O4S2, outlines 20 carbons and 39 hydrogens from the imidazolium and alkyl moiety, paired with six fluorines, three nitrogens, four oxygens, and two sulfurs from the anion. Its molar mass sits near 595.7 g/mol, influencing everything from weighing protocols to solubility estimations in lab work. Comparing it to more traditional ionic liquids, it tends to offer elevated thermal stability and hydrophobicity, a feature I found useful in phase-transfer catalysis or as a medium for electrochemical reactions that need to stay dry.

HS Code and Regulatory Context

Customs and international shipping classify this material under HS Code 2933.99, which covers heterocyclic compounds with nitrogen hetero-atoms. Importers and exporters must check current restrictions—many countries want updated safety data sheets, as new information about toxicity or persistence emerges. Over time, as I have seen, regulations catch up to evolving risk knowledge. Even if it escapes broad restriction, proper documentation matters to keep shipments out of customs limbo and avoid fines.

Safe Handling, Hazards, and Environmental Considerations

Like most ionic liquids, 1-Hexadecyl-3-Methylimidazolium Bis((Trifluoromethyl)Sulfonyl)Imide improves laboratory safety by skipping flammable, highly volatile solvents; workers rarely face vapor inhalation at ambient temperatures. Yet every chemical brings risk. Contact with skin can provoke irritation, eyes more so. Spills create slick, persistent residues that drag out clean-up work. Respect the substance’s moderate aquatic toxicity—the trifluoromethyl group and sulfonyl imide backbone resist breakdown, lingering if released outside controlled catchment. My own work pushed me to always wear gloves, goggles, and coat, plus keep spill kits on hand for even benign-seeming chemicals like this.

Waste management takes discipline. Collect solutions containing this ionic liquid for specialized hazardous waste processing. Avoid pouring into sinks: wastewater systems cannot break down highly fluorinated organics effectively. Evaluate each use case in the plant or lab for containment plans, documentation, and compliance with local statutes.

Uses: Value and Potential Solutions to Handling Challenges

Applications flourish in synthesis, electrochemical devices, catalysis, and materials science. I once used small batches as a solvent for transition metal catalysis, where the task called for a medium with high ionic strength and little water content. Scale-up for batteries or supercapacitors demands even tighter process control on water and contaminants. Developing closed-loop handling from raw material reception to user’s bench helps limit loss, improve yields, and cut environmental leakage. Automating dispensing, fitting storage with secondary containment, and training staff on real hazard scenarios—not just theoretical MSDS—reduce incidents over the long haul.

For the future, manufacturers could work with academia and regulators to probe long-term persistence and toxicity, seeking safer analogs or robust recycling strategies for spent material. Substitution remains tough because the unique features of the molecule cannot be matched by simpler salts or solvents. Until then, careful stewardship from the raw material stage through end-of-life offers the surest safeguard for workers and ecosystems alike.