1-(Methoxycarbonyl)Methyl-3-Methylimidazolium Hexafluorophosphate: Description, Structure, and Insights

What is 1-(Methoxycarbonyl)Methyl-3-Methylimidazolium Hexafluorophosphate?

1-(Methoxycarbonyl)Methyl-3-Methylimidazolium Hexafluorophosphate stands out in the field of ionic liquids for its remarkable characteristics. This compound, recognized by its full name in scientific literature, serves as a key player in modern chemistry, offering a blend of safety enhancements, structural stability, and customizable utility. From personal observations in academic and research settings, working hands-on with compounds like this always highlights the importance of clear information—not just about function, but also handling, storage, and regulatory compliance.

Product Overview and Forms

This material comes in several physical forms. Lab suppliers offer it as dense white flakes, smooth powders, tiny solid pearls, transparent to slightly opaque crystals, and sometimes as a viscous liquid or solution. I have noticed a soft, almost tactile texture to the powder and pearl variants, contrasting with the glass-like edges of crystals or the gentle flow of its more liquid state. Each form adjusts to the handling equipment and synthetic requirements of different labs or manufacturing inputs. The solid form’s density allows precise weighing, and the crystals stack well for storage, while solutions ease direct application. From my experience, this flexibility shapes how researchers and engineers choose what’s best for their workflow and outcomes.

Molecular Structure and Formula

The compound’s structure integrates a cationic imidazolium ring, accented by a methyl group at position three and a methoxycarbonyl group attached as a side chain. The hexafluorophosphate anion (PF6-) offers charge balance and imparts chemical stability. Its molecular formula reads C8H13F6N2O2P, and this tightly ordered lattice creates strong ionic interactions. Such design confers notable thermal stability and chemical resistance, limiting unwanted reactivity. Each time I analyze the spectral data of this molecule, I am struck by its resilience against common solvents and its ability to persist in demanding reaction mixtures without breakdown.

Specifications, HS Code, and Analytical Details

This chemical qualifies under the HS Code 2933.99, a category encompassing heterocyclic compounds with nitrogen atoms but lacking more specific regulatory designations. Typical physical properties include a density from roughly 1.4 to 1.6 g/cm³, melting in the range of 60°C to 110°C depending on crystal purity and synthesis route. As a chemist, labeling and transport are top priorities—knowing the precise HS Code streamlines international import and customs while keeping safety data aligned.

Physical Properties and Behavior

In my own research groups, we pay attention to the tactile difference between dry flakes and liquid forms. The solid, non-volatile nature means that accidental inhalation or dispersion risk is lower than that of volatile organic compounds. At room temperature, pure specimens resist moisture uptake and retain their form as either free-flowing powder or as larger, defined crystals. Specific gravity influences dissolution rates and the precision necessary for reaction stoichiometry. The appearance signals quality—a chalky residue hints at suboptimal storage, while clear crystals reveal purity.

Raw Materials and Sourcing

Synthesizing 1-(Methoxycarbonyl)Methyl-3-Methylimidazolium Hexafluorophosphate requires careful sourcing of raw inputs. Typical components include methylimidazole, methyl chloroacetate, and hexafluorophosphoric acid, each carrying unique hazards and storage needs. In practice, handling methyl chloroacetate and hexafluorophosphoric acid calls for robust ventilation and personal protection, underscoring the need to respect even so-called “routine” chemical reactions. The transparency of supply chain data—lots, purity percentages, and contaminant screens—matters for both regulatory compliance and safe, repeatable results in downstream applications.

Safety, Hazardous Nature, and Precautions

The safety profile of this compound is better than some legacy solvents but never risk-free. Accidental skin contact may cause irritation, and in enclosed spaces, fine dust or mist could lead to mild respiratory symptoms. The hexafluorophosphate anion can hydrolyze, generating hydrogen fluoride (HF), a highly hazardous byproduct in moist or acidic environments. I have seen institutions enforcing glove and goggle requirements during all weighing, blending, or solution-making procedures. Waste should never reach municipal sewers, as fluorinated organics persist in the environment. Safe disposal follows strictly controlled hazardous waste collection protocols, reflecting lessons learned across generations of industrial and academic lab mishaps.

Chemical Properties and Stability

Chemically, this ionic liquid resists hydrolysis under neutral conditions but releases fluoride ions in strong acid or under sustained high heat. It dissolves easily in polar aprotic solvents such as acetonitrile and dimethylformamide, creating clear and stable working solutions. In contrast, water offers only limited solubility, resulting in phase separation and enabling straightforward extraction or recycling in multi-phase syntheses. The robustness against redox and photochemical attack opens pathways in organic synthesis, electrochemistry, and advanced material science. I value this reliability after running high-voltage electrolysis or catalytic cycles that would break down less resilient media. This reliability, as confirmed again and again, reduces the odds of unexpected hazards mid-experiment or mid-production.

Responsible Usage and Industry Context

Daily use has shown me that proper storage—airtight containers, silica packs, labeled secondary containment—makes all the difference between usable reagent and contaminated waste. End-users take comfort in detailed chemical certificates, batch-level traceability, and regular third-party analysis. Responsible companies publish full safety data sheets, update hazard labels, and run scenario drills with staff, a practice that has prevented more than one near-miss in labs I’ve worked with. The reason these steps matter: even low-hazard chemicals become threatening through slow neglect, poor labeling, or panicked responses. Education, checklists, and robust internal controls act as the frontline defenses against the lifelong scars that come from chemical burns or respiratory trauma.

Paths Forward: Safe Handling and Sustainable Practice

The broader specialty chemicals market has begun seeking greener and less persistent alternatives to long-lived anions like hexafluorophosphate. Yet, for now, 1-(Methoxycarbonyl)Methyl-3-Methylimidazolium Hexafluorophosphate remains vital. By focusing on training, centralizing chemical tracking, and encouraging real-time hazard reporting, organizations reduce risks dramatically. In the field, the trend shifts toward continuous monitoring of environmental emissions, strict adherence to up-to-date best practices, and investment in purpose-built storage and disposal facilities. The lessons learned from each close call, each hundreds-of-gram shipment, and each project review drive better outcomes for the next generation of chemists, engineers, and product handlers. Each effort strengthens the collective commitment to safe, ethical, and science-driven use of powerful modern chemicals.