Material Safety Data Sheet for Propyltributylphosphonium Bis(trifluoromethylsulfonyl)imide

Identification

Product Name: Propyltributylphosphonium Bis(trifluoromethylsulfonyl)imide
Chemical Formula: C18H38F6NO4P S2
CAS Number: 681070-41-5
Recommended Use: Ionic liquid for chemical synthesis, catalysis, and electrochemistry
Supplier: Chemical distributor information to be provided by procurement records
Emergency Contact Numbers: Local poison control centers, manufacturer emergency hotline

Hazard Identification

GHS Classification: Skin irritation (Category 2), Eye irritation (Category 2A), Specific target organ toxicity - Single exposure (Category 3)
Pictograms: Exclamation mark
Signal Word: Warning
Hazard Statements: Causes skin irritation, causes serious eye irritation, may cause respiratory irritation
Precautionary Statements: Avoid breathing vapors or mists, wash thoroughly after handling, use only outdoors or in a well-ventilated area, wear protective gloves, clothing, and eye protection
Other Hazards: Risk of slips from spilled material due to liquid viscosity

Composition / Information on Ingredients

Component: Propyltributylphosphonium Bis(trifluoromethylsulfonyl)imide
Chemical Identity: Main component >95%
Impurities: Minor residuals from manufacturing process, individual impurities below 1%
Molecular Weight: 612.7 g/mol

First Aid Measures

Eye Contact: Rinse with gentle stream of water for at least 15 minutes, remove contact lenses if present and easy, seek medical advice without delay
Skin Contact: Wash exposed skin thoroughly with plenty of water and soap, remove contaminated clothing and footwear, consult physician for persistent irritation
Inhalation: Remove to fresh air, monitor breathing, provide oxygen or artificial respiration if necessary, seek medical attention if symptoms appear
Ingestion: Rinse mouth, do not induce vomiting, drink small quantity of water only if conscious, seek immediate medical help
Acute/Delayed Symptoms: Irritation in respiratory tract, eyes, or on skin; gastrointestinal upset possible on ingestion

Fire-Fighting Measures

Suitable Extinguishing Media: Dry chemical, carbon dioxide, alcohol-resistant foam, water spray (not strong stream)
Specific Hazards: May produce toxic and corrosive fumes under fire conditions—hydrogen fluoride, sulfur oxides, phosphorous oxides
Protective Equipment: Full protective gear and self-contained breathing apparatus
Advice for Firefighters: Remove containers from vicinity if possible, contain runoff to prevent environmental contamination, use non-sparking tools and explosion-proof equipment

Accidental Release Measures

Personal Precautions: Evacuate nonessential personnel, ventilate area, avoid contact with eyes and skin, restrict direct inhalation
Protective Equipment: Chemical resistant gloves, goggles or face shield, laboratory coat or impervious suit
Environmental Precautions: Prevent entry into sewers or waterways, contain spills with sand or inert materials
Methods for Cleaning Up: Absorb with suitable inert absorbent (vermiculite, sand), collect in labeled waste containers, decontaminate area with soap solution, dispose according to regulations

Handling and Storage

Precautions for Safe Handling: Use only in designated chemical fume hood, avoid formation of mists, prevent contact with incompatible materials such as strong oxidizers and acids
Hygiene Measures: Wash hands after handling, remove contaminated clothing before breaks and after work, do not eat or drink during use
Storage Requirements: Keep container tightly closed in cool, dry, well-ventilated area, store away from moisture and direct sunlight, secure from unauthorized access
Incompatible Materials: Strong oxidizing agents, strong bases, strong acids

Exposure Controls and Personal Protection

Exposure Limits: No established occupational exposure limits, recommend minimizing exposure as good laboratory practice
Engineering Controls: Use in fume hood or well-ventilated space, use local exhaust ventilation to control vapor and mist
Personal Protection: Chemical-resistant gloves (nitrile or neoprene), safety goggles, face shield for large quantities, laboratory coat or impervious suit, closed-toe shoes
Additional Protective Measures: Eye wash station and safety shower in close proximity, avoid working alone, maintain effective spill response plan

Physical and Chemical Properties

Appearance: Colorless to pale yellow liquid
Odor: Mild, none to faint odor
Odor Threshold: Not established
Melting Point: Below room temperature (approximately -10°C)
Boiling Point: Decomposes before boiling
Flash Point: Not easily flammable, estimated above 100°C
Evaporation Rate: Slow
Flammability: Not classified as flammable under GHS
Vapor Pressure: Very low at 20°C
Vapor Density: Not established
Relative Density: Approximately 1.25 g/cm³
Solubility: Insoluble in water, soluble in polar organic solvents (acetonitrile, dimethyl sulfoxide)
Partition Coefficient (n-octanol/water): Not established
Auto-ignition Temperature: Not established
Decomposition Temperature: Above 170°C
Viscosity: Moderate, similar to oil

Stability and Reactivity

Chemical Stability: Stable under recommended storage and handling conditions
Reactivity: Not reactive under normal use, may react with strong oxidizers
Hazardous Reactions: No hazardous polymerization expected
Incompatible Materials: Strong acids, strong bases, strong oxidizing agents
Conditions to Avoid: Exposure to high temperature, moisture, direct sunlight
Hazardous Decomposition Products: Hydrogen fluoride, sulfur oxides, phosphorous oxides, fluorinated organics upon decomposition

Toxicological Information

Acute Toxicity: No acute toxicity studies specific for this compound; low volatility reduces risk from inhalation
Skin Corrosion/Irritation: Causes skin irritation; redness and discomfort likely after prolonged contact
Serious Eye Damage/Irritation: Causes serious eye irritation, pain and watering likely after exposure
Respiratory or Skin Sensitization: Not expected to sensitize, but repeat exposure may cause irritation
Chronic Toxicity: Long-term effects not fully evaluated, but not known to accumulate in mammals
Mutagenicity/Carcinogenicity: No data indicating mutagenic or carcinogenic activity
Other Effects: Ingestion may result in gastrointestinal upset (nausea, vomiting, abdominal pain), no known teratogenic effects
Routes of Exposure: Eye, skin, inhalation, ingestion

Ecological Information

Ecotoxicity: Data limited, similar phosphonium salts have shown moderate aquatic toxicity
Persistence and Degradability: Ionic liquids can persist in environment; full degradation profile not established
Bioaccumulation Potential: Potential for bioaccumulation low based on molecular structure, further studies pending
Mobility in Soil: Low solubility in water, likely binds to organic matter in soil
Other Adverse Effects: Precaution recommended to minimize environmental release, avoid discharge to waterways
Aquatic Toxicity: Limited data, recommend containment of spills to protect aquatic life

Disposal Considerations

Disposal Methods: Dispose in accordance with local, regional, and national regulations for chemical waste
Container Disposal: Rinse three times with suitable solvent, puncture and dispose as hazardous waste
Incineration: Preferred disposal method through licensed chemical incineration facility
Special Precautions: Do not pour into drains, watercourses, or onto soil, consult qualified waste management professionals

Transport Information

UN Number: Not regulated under most transport codes
Proper Shipping Name: Not classified as dangerous for transport
Transport Hazard Class: None assigned
Packing Group: None assigned
Environmental Hazards: Not identified as marine pollutant, still recommend preventing release during transport
Special Precautions: Keep container tightly sealed, protect from physical damage, inform transport personnel of potential hazards

Regulatory Information

Safety, Health and Environmental Regulations: Not listed as a regulated chemical under major international or country-specific lists (TSCA, REACH, DSL), still must comply with general chemical safety requirements
Inventories: Check local and regional chemical inventories for registration status before use in regulated contexts
Hazard Categories: Not classified as carcinogen, mutagen, reproductive toxin, or acutely toxic under OSHA, GHS, or EU CLP
Labeling Requirements: Follow workplace labeling standards, include manufacturer or supplier information, pictograms, hazard statements, precautionary statements
Other Information: Safety data must be retrained by all handlers, records of risk assessments should be kept for workplace inspections and audits