Material Safety Data Sheet: N-Hexylimidazolium Trifluoromethanesulfonate

1. Identification

Product Name: N-Hexylimidazolium Trifluoromethanesulfonate
Chemical Formula: C10H19F3N2O3S
CAS Number: 874221-06-2
Synonyms: 1-Hexyl-3-methylimidazolium trifluoromethanesulfonate, [C6mim][OTf]
Use: Laboratory research, organic synthesis, ionic liquid studies
Supplier: Chemical distributor address and contact information
Emergency Phone: 24-hour hotline provided by supplier

2. Hazard Identification

Classification: Eye Irritation (Category 2), Skin Irritation (Category 2), Acute Toxicity Oral (Category 4)
Label Elements: Signal word: Warning; Hazard phrases: Causes skin irritation, causes serious eye irritation, harmful if swallowed
Pictograms: Exclamation Mark
Potential Health Effects: Inhalation may cause respiratory irritation; ingestion could result in gastrointestinal discomfort, headache, drowsiness; skin and eye contact potentially lead to burns and severe irritation
Environmental Effects: Harmful to aquatic organisms; long-term adverse impacts possible in aquatic environments
Precautionary Statements: Wear protective gloves, clothing, and eye protection; wash hands thoroughly after handling; avoid release to environment

3. Composition / Information on Ingredients

Chemical Name: N-Hexylimidazolium Trifluoromethanesulfonate
Common Name: [C6Im][OTf]
Concentration: 100% by weight
Impurities: No known significant impurities altering classification
Molecular Structure: Hexyl-substituted imidazolium ion paired with trifluoromethanesulfonate anion

4. First Aid Measures

Inhalation: Move affected person to fresh air, keep calm, monitor for breathing difficulty, seek medical assistance if irritation or symptoms persist
Skin Contact: Remove contaminated clothing, rinse skin under running water for 15 minutes, wash with mild soap and water, get medical attention if symptoms appear
Eye Contact: Rinse immediately with plenty of water, lifting eyelids occasionally, continue flushing for at least 15 minutes, contact an eye specialist
Ingestion: Rinse mouth with water, do not induce vomiting without medical advice, give small quantities of water if conscious, call poison control or physician
Recommendations for Medical Care: Treat symptomatically, monitor respiratory and cardiovascular function, support fluid and electrolyte balance as needed

5. Fire-Fighting Measures

Suitable Extinguishing Media: Water spray, alcohol-resistant foam, dry chemical powder, carbon dioxide
Hazardous Combustion Products: Formation of toxic gases including carbon oxides, nitrogen oxides, hydrogen fluoride, sulfur oxides, and trifluoromethanesulfonic acid fumes may result
Protective Equipment: Firefighters should wear self-contained breathing apparatus and complete protective gear
Specific Hazards: Vapors may be irritating, material may decompose under intense heat
Fire Response Precautions: Move containers away from fire if safe, do not allow run-off from firefighting to enter waterways, prevent inhalation of decomposition products

6. Accidental Release Measures

Personal Precautions: Avoid contact with skin, eyes, and clothing, ventilate area, evacuate unnecessary personnel, use personal protective equipment
Environmental Precautions: Prevent entry into drains, sewers, and waterways, inform authorities if significant spills threaten the environment
Containment: Stop source of leak, contain spill using inert absorbent (sand, vermiculite), prevent further release
Cleanup: Scoop up absorbed material in sealed containers for disposal, wash spill site thoroughly, dispose of collected waste following local, national, and international regulations

7. Handling and Storage

Handling: Work under fume hood if possible, avoid vapor inhalation, sparks, and static discharge, handle with chemical-resistant gloves and protective eyewear
General Hygiene: Do not eat, drink, or smoke while handling, wash hands before breaks and after use
Storage: Store in tightly closed container, in cool, dry, well-ventilated area, away from sources of ignition and incompatible materials such as strong oxidizers, acids, and bases
Incompatible Conditions: Exposure to moisture may cause product degradation and hazardous byproducts, keep away from direct sunlight and heat sources

8. Exposure Controls and Personal Protection

Occupational Exposure Limits: No established threshold limit values for this compound; maintain exposure as low as possible using engineering controls
Ventilation: Use with adequate exhaustion and local ventilation
Respiratory Protection: Use approved respirators for organic vapors and particulates if ventilation is inadequate
Skin Protection: Wear chemical-resistant nitrile or neoprene gloves, lab coat, and closed shoes
Eye Protection: Safety goggles with side shields
Environmental Controls: Prevent environmental release by containing materials and handling all liquids responsibly

9. Physical and Chemical Properties

Appearance: Colorless to pale yellow liquid
Odor: Mild to no characteristic odor
pH: Not applicable in typical state
Melting Point: -15 to -10°C
Boiling Point: Decomposes before boiling
Flash Point: > 100°C (closed cup)
Evaporation Rate: Negligible at room temperature
Vapor Pressure: Low at 25°C
Solubility: Miscible with water and organic solvents such as ethanol, acetonitrile
Partition Coefficient (log Kow): Data not available
Viscosity: 80-90 mPa.s at 25°C
Density: Approximately 1.25 g/cm³ at 20°C
Decomposition Temperature: >200°C
Auto-ignition Temperature: Not determined

10. Stability and Reactivity

Chemical Stability: Stable under recommended storage conditions
Reactivity: Reacts with strong oxidizers, acids, and bases
Hazardous Reactions: May generate toxic fumes during decomposition, especially under fire or strong heat
Conditions to Avoid: Excessive heat, open flames, moisture, incompatible materials
Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, nitrogen oxides, hydrogen fluoride, trifluoromethanesulfonic acid

11. Toxicological Information

Routes of Exposure: Inhalation, ingestion, dermal contact, eye contact
Acute Toxicity: Harmful if swallowed; may cause irritation to gastrointestinal tract and respiratory system
Skin Irritation: Causes redness, burns, possible blistering with prolonged exposure
Eye Irritation: Causes severe irritation, possible corneal damage
Chronic Effects: Long-term exposure not well studied; no information on sensitization or carcinogenicity
Mutagenicity: No data indicating mutagenic hazards in standard assays
Carcinogenicity: Compound not classified as carcinogenic by NTP, IARC, ACGIH, or OSHA
Symptoms: Burning sensation, coughing, nausea, headaches, drowsiness possible
Target Organs: Eyes, skin, gastrointestinal tract, respiratory system

12. Ecological Information

Ecotoxicity: Harmful to aquatic organisms, potential cause of long-term adverse effects in aquatic environments
Biodegradation: Limited data; ionic liquids may persist in the environment
Bioaccumulation: Potential unknown; limited evidence suggests low bioaccumulation for similar structures
Mobility in Soil: Ionic liquids display high mobility depending on soil properties, may leach to groundwater
Other Adverse Effects: Avoid environmental release, persistent chemicals may disrupt aquatic ecosystems

13. Disposal Considerations

Waste Treatment Methods: Incinerate at licensed facility using proper emission controls
Chemical Waste: Do not dispose to sewer or surface water; collect in suitable containers for hazardous chemical disposal
Packaging Disposal: Containers and packaging must be disposed of as hazardous waste in accordance with local, state, and federal regulations
Legal Compliance: Holder of waste must comply with Waste Framework Directive and relevant country legislation

14. Transport Information

UN Number: Not regulated under most shipping guidelines
UN Proper Shipping Name: Not classified
Transport Hazard Class(es): Not assigned
Packing Group: Not regulated
Marine Pollutant: Precaution recommended due to aquatic toxicity
Special Precautions: Keep away from incompatible materials, avoid direct contact, and ensure containers remain sealed and upright during transport

15. Regulatory Information

Safety, Health, and Environmental Regulations: Product falls under general chemical regulations; not specifically listed by OSHA, CERCLA, SARA Title III, RCRA, or California Prop 65
TSCA Status: For research and development purposes only, handled under section 5 of TSCA
REACH Status: May be subject to registration under REACH if supplied in the EU in excess of exemption quantities
Labeling Requirements: Hazard pictogram(s), risk phrases, and safety phrases must appear on all packaging
Other Regulations: Product users responsible for compliance with applicable local, state, country-specific and international regulations