Product Name: Methyltri-N-Octylammonium Bis(Trifluoromethanesulfonyl)Imide
Chemical Formula: C27H57F6N3O6S2
CAS Number: 63076-34-1
Other Names: [N8881][NTf2]
Recommended Uses: Laboratory reagent, solvent extraction, ionic liquids research, electrochemistry
Supplier: Manufacturer’s address and emergency phone number should be listed here for rapid access in emergencies
Restrictions: Professional users and trained personnel only, follow institutional chemical safety guidelines
GHS Classification: Acute oral toxicity category 4, skin irritation category 2, eye irritation category 2A, aquatic chronic category 3
Pictograms: Exclamation mark symbol and aquatic environment hazard
Signal Word: Warning
Hazard Statements: Harmful if swallowed, causes skin irritation, causes serious eye irritation, harmful to aquatic life with long lasting effects
Precautionary Statements: Avoid breathing dust or vapors, wear protective gloves and eye protection, wash hands thoroughly after handling, avoid release to the environment
Other Hazards: Combustible, may form hazardous decomposition products under fire conditions
Chemical Name: Methyltri-N-Octylammonium Bis(Trifluoromethanesulfonyl)Imide
Synonyms: [N8881][NTf2], ionic liquid
Purity: ≥ 97%
CAS Number: 63076-34-1
Impurities: Trace residual solvents and by-products below 2% total by weight
Molecular Weight: 783.99 g/mol
General Advice: Move affected individual to fresh air. Seek immediate medical attention in case of persistent symptoms.
Inhalation: Remove to fresh air, keep comfortable, apply artificial respiration if necessary, consult a physician
Skin Contact: Rinse with plenty of water and soap, remove contaminated clothing, seek medical attention for persistent irritation
Eye Contact: Flush with plenty of water for at least 15 minutes, remove contact lenses if present, get medical attention promptly
Ingestion: Rinse mouth thoroughly, never give anything by mouth to an unconscious person, do not induce vomiting, contact poison control or a physician immediately
Specific Symptoms: Burning, redness, irritation of exposed areas, stomach upset, headache
Note for Physicians: Treat symptomatically and monitor for delayed effects. Provide supportive care.
Suitable Extinguishing Media: Carbon dioxide, dry chemical powder, alcohol-resistant foam, water spray if large fire
Unsuitable Media: Direct water jet may spread the fire
Hazards During Fire: Produces toxic fumes of nitrogen oxides, sulfur oxides, hydrogen fluoride, and carbon oxides
Protective Equipment for Firefighters: Use breathing apparatus and full protective gear
Specific Methods: Move containers from fire area if it can be done without risk. Prevent fire-fighting runoff from entering drains or waterways.
Explosion Risk: Containers may rupture under fire conditions, evacuate area if fire reaches storage location
Personal Precautions: Wear protective clothing, gloves, eye and face protection. Evacuate unnecessary personnel and ventilate area.
Methods for Containment: Contain spill to prevent migration into drains, surface water, or soil. Block spill with dikes of soil, sand, or inert material.
Methods for Clean-Up: Absorb with inert materials such as sand or vermiculite, then transfer waste to properly labeled containers.
Environmental Precautions: Prevent further leakage or spillage if safe to do so, avoid entry into waterways, sewers, basements, or confined areas. Report any environmental release to proper authorities.
Decontamination: Wash area with plenty of water after initial clean-up for smaller spills.
Safe Handling Advice: Avoid direct contact with skin and eyes, avoid inhaling dust or mist, use only in well-ventilated areas, never eat or drink while handling chemicals
Precautions Against Fire and Explosion: Store away from open flames, hot surfaces, and other ignition sources.
Storage Conditions: Store in tightly closed containers in cool, dry, well-ventilated areas. Avoid light and moisture exposure.
Incompatible Materials: Reactive with strong oxidizing agents, acids, and bases. Avoid storing near food or feed.
Packing Materials: Use glass or high-density polyethylene containers for long-term storage
Technical Measures: Ground and bond containers during transfer to reduce electrostatic ignition risk.
Engineering Controls: Use fume hood or local exhaust ventilation for laboratory work. Maintain safety showers and eyewash stations where chemical is handled.
Exposure Limits: No occupational exposure limits have been established for this compound by OSHA, NIOSH, or ACGIH, but keep exposure as low as reasonably achievable.
Personal Protective Equipment: Chemical-resistant gloves (nitrile or neoprene recommended), splash-proof goggles, face shield, protective lab coat. If ventilation is insufficient, respiratory protection may be required.
Hygiene Measures: Wash hands thoroughly after handling. Remove contaminated clothing and wash before reuse.
Environmental Controls: Prevent chemicals from entering drains or natural water bodies.
Appearance: Slightly viscous colorless to pale yellow liquid
Odor: Faint, characteristic
pH: Not applicable (non-aqueous compound)
Melting Point: -10 to 10°C
Boiling Point: Decomposes before boiling
Flash Point: >160°C (closed cup)
Evaporation Rate: Negligible at room temperature
Vapor Pressure: Low (<0.01 mm Hg at 25°C)
Solubility: Insoluble in water, soluble in organic solvents like dichloromethane and acetonitrile
Viscosity: Moderate, varies with temperature
Density: About 1.0-1.05 g/cm³ (at 25°C)
Decomposition Temperature: Above 200°C
Partition Coefficient: Estimated log Kow >5 (lipophilic)
Other Data: Hygroscopic, avoid moisture
Chemical Stability: Stable under recommended storage conditions and normal temperatures
Reactivity: Unreactive with most chemicals at room temperature, reacts strongly with oxidizing agents
Conditions to Avoid: Excessive heat, open flames, direct sunlight, moisture
Hazardous Decomposition Products: Hydrogen fluoride, nitrogen oxides, sulfur oxides, perfluorinated compounds on thermal decomposition
Polymerization: No hazardous polymerization expected
Acute Toxicity: Oral LD50 (rat): estimated between 300-2000 mg/kg, inhalation and dermal exposure data limited
Skin Corrosion/Irritation: Causes moderate irritation based on analogy with similar compounds
Eye Damage/Irritation: Causes significant eye irritation
Respiratory Sensitization: Not classified due to lack of data, but avoid dust and vapor
Skin Sensitization: Not classified, but prolonged exposure may cause allergic reaction in sensitive individuals
Repeated Dose Toxicity: No specific long-term studies available, use general precautions as for other quaternary ammonium compounds
Mutagenicity/Carcinogenicity: Data not available, structure does not highly suggest genotoxic or carcinogenic potential
Reproductive Toxicity: No relevant data available
Aquatic Toxicity: Harmful to aquatic organisms based on similarity to other ionic liquids (estimated LC50, fish >10 mg/L over 96 hours)
Persistence and Degradability: Stable, not readily biodegradable in environment
Bioaccumulative Potential: High, given strong lipophilicity (estimated log Kow>5)
Mobility in Soil: Low, tends to bind strongly to organic matter in soils and sediments
Other Adverse Effects: May disrupt aquatic ecosystems with prolonged exposure, avoid large-scale releases to the environment
Waste Disposal Methods: Must be disposed of as hazardous chemical waste by incineration or through authorized waste management contractor
Packaging Disposal: Contaminated packaging should be treated as hazardous, follow local regulations for chemical containers
Sewage Disposal: Do not allow entry into drains, sewers or natural water bodies
Waste Codes: Follow local, state, and national regulations for specific waste codes
Best Practices: Collect all waste, label containers clearly, inform waste handlers about nature of material, keep paperwork for traceability
UN Number: Not assigned
Proper Shipping Name: Not regulated for ground transport in small quantities; bulk shipments may require hazardous materials declaration
Hazard Class: Environmentally hazardous substance, not subject to International Maritime Dangerous Goods or IATA unless in large amounts
Packing Group: Not classified
Special Precautions: Seal containers tightly, store upright, separate from incompatible materials during shipping
Transport in Bulk: Contact shipper and regulatory authorities for restrictions on shipping large volumes
US Regulations: Not listed on major hazardous chemical inventories such as TSCA, SARA, CERCLA, or RCRA, but all general chemical worker protection rules apply
EU Regulations: Not currently REACH-registered in high-tonnage band, use in research and development only, CLP labeling applies
Label Elements: GHS-compliant hazard and precautionary labeling required
International Inventories: Check national inventories; compliance with local chemical safety rules remains necessary
Worker Protection: National and regional workplace exposure and health protection legislation must be followed; training for safe handling required.
Other Regulatory Notes: Ensure up-to-date documentation, laboratory chemical hygiene plans, and risk assessments before procurement or use
