MSDS: 1-(Methoxycarbonyl)Methyl-3-Methylimidazolium Bis(Trifluoromethylsulfonyl)Imide

Identification

Product Name: 1-(Methoxycarbonyl)Methyl-3-Methylimidazolium Bis(Trifluoromethylsulfonyl)Imide
Synonyms: [C1C1COOMe][NTf2]
Chemical Formula: C10H13F6N3O5S2
CAS Number: 1386481-67-3
Supplier: Chemical distributor or laboratory supply vendor
Recommended Uses: Used in organic synthesis, ionic liquid applications, solvent for difficult reactions, electrochemistry
Restrictions on Use: For laboratory use and research only, keep away from food and animal feed production
Emergency Contact: Refer to organization or supplier’s emergency procedures

Hazard Identification

GHS Classification: Not listed as hazardous according to current GHS criteria, but follow prudent lab practices
Signal Word: Warning
Hazard Statements: May cause skin and eye irritation, inhalation of dust or vapors may cause respiratory tract discomfort
Precautionary Statements: Avoid breathing dust, wash thoroughly after handling, wear protective gloves, clothing, and eye protection
Potential Health Effects: Prolonged exposure may cause mild irritation, unknown chronic toxicity, scant data on repeated exposure
Signs of Overexposure: Redness on skin or eyes, respiratory irritation, discomfort in mouth or throat
Environmental Hazards: Not expected to be highly hazardous, larger spills may pose risk to aquatic environments

Composition / Information on Ingredients

Chemical Name: 1-(Methoxycarbonyl)methyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide
Common Name: [C1C1COOMe][NTf2]
Purity: Typically >95%
Impurities: Minor organic residues, water traces, not expected to be hazardous
Additives: Not intentionally present
EC Number: Not assigned

First Aid Measures

Inhalation: Move person to fresh air, seek medical attention for any breathing, coughing, or throat irritation lasting more than several minutes
Skin Contact: Remove contaminated clothing, wash exposed skin thoroughly with soap and water, seek advice if redness or irritation persists
Eye Contact: Immediately flush eyes with clean water for at least 15 minutes, keep eyelids open, consult a physician if discomfort remains
Ingestion: Rinse mouth with water, seek medical attention for any swallowed amounts, do not induce vomiting unless directed by medical personnel
Symptoms Requiring Immediate Action: Breathing difficulty, severe skin or eye burns, swelling, unconsciousness
Advice for Medical Personnel: Treat symptomatically, consider risk of chemical exposure to liver and kidneys

Fire-Fighting Measures

Suitable Extinguishing Media: Alcohol-resistant foam, dry powder, carbon dioxide, water spray for cooling only
Unsuitable Media: Avoid direct water jets that may spread product
Specific Hazards: Burning releases toxic and corrosive fumes including hydrogen fluoride, sulfur oxides, nitrogen oxides, possibly carbon oxides
Special Protective Equipment: Firefighters need self-contained breathing apparatus and chemical-resistant clothing
Firefighting Instructions: Remain upwind, keep containers cool with water, prevent runoff from entering drains or natural waterways
Explosion Data: Not known to be explosive under normal conditions

Accidental Release Measures

Personal Precautions: Wear suitable protective gear, including gloves, safety goggles, and protective clothing
Emergency Procedures: Evacuate non-essential personnel, ventilate area, avoid inhalation and contact with released material
Spillage Response: Absorb with inert materials (dry sand, diatomaceous earth), collect in sealable wastes containers, wipe down with damp cloths
Environmental Protection: Block drains, prevent entry into water courses, report to authorities if significant environmental exposure occurs
Cleanup: Dispose of cleanup materials in accordance with regulatory requirements, decontaminate surfaces with soap and water

Handling and Storage

Handling: Use only in well-ventilated areas, avoid dust and direct vapor inhalation, keep closed when not in use
Safe Handling Practices: Use mechanical extraction or local exhaust, wash hands after use, avoid eating, drinking, or smoking during use
Storage Conditions: Store in a tightly closed, labeled container in a cool, dry place away from direct sunlight and incompatible substances
Incompatible Materials: Avoid strong oxidizers, acids, bases, moisture-sensitive agents
Storage Life: Stable for at least two years under recommended conditions
Packaging Materials: Chemically resistant containers (glass, high-density plastics)

Exposure Controls and Personal Protection

Engineering Controls: Use fume hoods, mechanical extraction, ensure eyewash stations and safety showers are accessible
Occupational Exposure Limits: No established limits for this specific compound
Eye Protection: Chemical splash goggles or face shield
Hand Protection: Nitrile or neoprene gloves
Skin and Body Protection: Laboratory coat, closed footwear
Respiratory Protection: NIOSH-approved respirators recommended for high dispersion, dust, or fume
Hygiene Measures: Avoid direct contact, wash hands and face before breaks and after work, do not reuse contaminated clothing

Physical and Chemical Properties

Appearance: Transparent to pale yellow, viscous liquid
Odor: Faint, non-distinctive odor
pH: Neutral to slightly acidic (solution)
Melting Point: Estimated -10 to 10°C
Boiling Point: Decomposes above 300°C
Flash Point: >100°C (closed cup)
Evaporation Rate: Very low
Flammability: Non-flammable under expected conditions
Vapor Pressure: Practically non-volatile at room temperature
Solubility: Soluble in polar organic solvents (acetonitrile, DMSO); low solubility in water
Partition Coefficient (Log Kow): Not available
Decomposition Temperature: Above 300°C
Viscosity: High viscosity at ambient
Density: Estimated 1.45 g/cm³

Stability and Reactivity

Chemical Stability: Stable under normal storage and handling at ambient conditions
Reactivity: Inert to most water-free environments, sensitive to strong oxidants and reducing agents
Thermal Decomposition: May produce toxic vapors, including HF, SOx, NOx, and organic fragments
Hazardous Polymerization: Not expected
Conditions to Avoid: Excessive heating, direct flame, contamination with incompatible materials
Incompatible Substances: Strong acids, alkali metals, oxidizers
Corrosion: Prolonged contact may degrade some metals and plastics

Toxicological Information

Likely Routes of Exposure: Inhalation of vapors or dust, skin and eye contact, ingestion
Acute Toxicity Estimates: Data limited; related ionic liquids show moderate acute toxicity on ingestion and contact
Skin Contact: Potential irritation
Eye Contact: Irritation, possible transient redness or tearing
Inhalation Toxicity: Mechanical irritation possible, no data on sensitization
Ingestion: Nausea, stomach discomfort
Carcinogenicity: No data suggesting carcinogenic effects
Mutagenicity: No mutagenic evidence found in related structures
Chronic Effects: Repeated long-term contact not well studied, use precautionary approach
Sensitization: No human data, unlikely based on structure
Target Organ Effects: No known target organ specificity

Ecological Information

Ecotoxicity: Limited direct data, ionic liquids can have moderate toxicity to aquatic life depending on structure; avoid direct discharges
Persistence and Biodegradability: Poorly biodegradable, may persist in soil and water systems
Bioaccumulative Potential: Low estimated, based on physicochemical profile
Mobility in Soil: May partition to water, less likely to bind to soil
Other Adverse Effects: Consider possible long-term risk to aquatic invertebrates if large spills enter waterways
Community Impact: Environmental controls should remain strict in research and industrial settings

Disposal Considerations

Disposal Methods: Burn in a chemical incinerator equipped with afterburner and scrubber, dispose through licensed hazardous waste contractor
Container Disposal: Triple rinse, puncture, and treat as hazardous solid waste
Regulatory Waste Codes: Assign based on local hazardous waste regulations
Precautions: Avoid discharge into drains or waterways, do not mix with household waste
Consultation: Check local, regional, and national regulations on chemical waste

Transport Information

UN Number: Not classified
Hazard Class: Not regulated for transport
Packing Group: Not assigned
Shipping Name: Chemical substances, n.o.s.
Environmental Hazard: Not expected under ordinary conditions, caution for bulk transport
Special Precautions: Keep containers secured and upright, avoid leaks
Transport in Bulk: Follow ADR, IMDG, IATA protocols for chemicals

Regulatory Information

Labeling: Not classified for GHS hazard; advisable to include warning and precautionary statements
Inventory Status: Check registration under REACH (EU), TSCA (US), DSL/NDSL (Canada), IECSC (China)
Reporting Requirements: None specific, report accidental releases following local legislation
Safety Assessment: Conforms to research chemical controls, not subject to workplace exposure standards
Consumer Use: Sale to the public not recommended
Other Regulations: Observe chemical, environmental, and occupational safety standards in laboratory and industrial applications