Product Name: N-(3-Sulfobutyl)-Pyridinium Trifluoroacetate
Chemical Family: Pyridinium salt, Trifluoroacetate compound
CAS Number: 876718-77-7
Recommended Use: Laboratory chemical, electrochemistry, organic synthesis
Manufacturer/Supplier: (Insert supplier details)
Emergency Contact: (Insert emergency response phone number)
Synonyms: 1-(3-sulfobutyl)pyridinium trifluoroacetate, SBPy-TFA
Relevant Identified Uses: Used in analytical chemistry, catalyst research, and surface modification
Restrictions on Use: Not for food, drug, or household use; for research and development only
GHS Classification: Skin Irritant (Category 2), Eye Irritant (Category 2A)
Signal Word: Warning
Pictograms: Exclamation mark
Hazard Statements: May cause skin irritation, may cause eye irritation, prolonged exposure may worsen effects, ingestion could lead to gastrointestinal discomfort
Precautionary Statements: Avoid contact with skin and eyes, wash hands thoroughly after handling, use only with adequate ventilation, wear protective equipment
Label Elements: Product identifier, hazard pictogram, signal word, hazard statements, supplier information
Other Hazards: Contact with strong bases or oxidizers could cause hazardous reactions, dusts may present risk of respiratory irritation
Chemical Name: N-(3-Sulfobutyl)-Pyridinium Trifluoroacetate
Chemical Formula: C11H14F3NO5S
Molecular Weight: 345.29 g/mol
Component: N-(3-Sulfobutyl)-Pyridinium Cation (Major component), Trifluoroacetate Anion (Counterion)
Concentration: ≥ 98% by weight
Impurities: Less than 1% (may include trace starting materials, pyridine derivatives, unreacted acids)
Inhalation: Move person to fresh air, seek medical attention if symptoms persist, monitor for respiratory distress, remove contaminants from environment
Skin Contact: Remove contaminated clothing, rinse affected area with soap and water for several minutes, consult physician if irritation develops
Eye Contact: Rinse continuously with water for at least 15 minutes, keep eyelids open and away from eyeball, seek immediate medical attention
Ingestion: Rinse mouth with water, seek immediate medical advice, do not induce vomiting unless instructed by medical personnel, offer water to dilute
Most Important Symptoms: Redness, burning, irritation, difficulty breathing if inhaled in high concentrations, headache possible
Recommendations for Physicians: Provide symptomatic and supportive care, monitor for delayed effects
Suitable Extinguishing Media: Dry chemical, carbon dioxide, foam, water spray (do not use water jet, may spread material)
Unsuitable Extinguishing Media: High pressure water streams
Specific Hazards: Thermal decomposition can produce toxic and corrosive fumes such as sulfoxides, nitrogen oxides, hydrogen fluoride, trifluoroacetic acid
Protective Equipment for Firefighters: Self-contained breathing apparatus, full protective clothing
Special Procedures: Evacuate personnel from area, prevent runoff from entering water systems, isolate hazard area
Explosion Sensitivity: Not known to present explosion hazard under normal conditions
Combustion Products: Carbon monoxide, carbon dioxide, sulfur oxides, fluorinated compounds, pyridine derivatives
Personal Precautions: Ensure adequate ventilation, avoid dust formation, wear gloves, safety goggles, lab coat, avoid breathing vapors or dust
Environmental Precautions: Prevent spillage from entering soil, watercourses, or drains, inform relevant authorities if hazard spreads
Methods for Clean-Up: Scoop up spilled material with non-sparking tools, collect in suitable containers for disposal, clean contaminated surface with detergent, avoid dry sweeping that may cause dust
Decontamination: Wash area with large volumes of water after complete clean-up
Handling Contaminated Material: Dispose of collected waste in sealed, clearly labeled containers
Handling: Use only in well-ventilated locations, avoid unnecessary exposure, wear chemical-resistant gloves, goggles, lab coat, do not eat or drink in work areas
Storage: Store in tightly closed original container, in cool, dry, well-ventilated place, protect from moisture and strong sunlight, keep away from incompatible substances such as strong oxidizers, acids, bases
Incompatibilities: Strong oxidizing agents, reducing agents, strong acids or bases
Specific Storage Requirements: Segregate from food and animal feed, maintain at recommended storage temperature (room temp or per supplier), prevent static discharge buildup
Engineering Controls: Use in chemical fume hood or local exhaust ventilation, install eyewash stations and safety showers near work area
Personal Protection: Chemical-resistant gloves (nitrile or neoprene), safety goggles with side shields, long-sleeve lab coat, use face shield for splash risk
Respiratory Protection: Use approved respirator if risk of inhalation exists or if working with powders in poorly ventilated areas
Hygiene Measures: Wash hands and exposed skin thoroughly after handling, never touch face or eyes while handling material, do not eat or smoke in work area
Exposure Limits: No established occupational exposure limits; minimize airborne dusts
Monitoring: Regular monitoring for presence of dust/vapor if used in bulk or inadequately ventilated environments
Appearance: Off-white to light yellow crystalline powder
Odor: Slight sulfurous or chemical odor
Odor Threshold: Not determined
pH: 3.5–5.5 aqueous solution
Melting Point: 120–125 °C
Boiling Point: Not applicable (decomposes)
Flash Point: Not available
Evaporation Rate: Not determined
Flammability: Not classified as flammable
Vapor Pressure: Negligible at ambient temperature
Vapor Density: Not applicable (solid material)
Relative Density: ~1.35–1.45 g/cm³
Solubility: Soluble in water, methanol, DMSO
Partition Coefficient: Not available
Decomposition Temperature: Above 180 °C;
Viscosity: Not applicable (solid compound)
Chemical Stability: Chemically stable under normal storage and handling conditions
Reactive Potential: May react vigorously with strong oxidizers, reducing agents, and strong acids or bases
Hazardous Reactions: Exothermic reaction possible with incompatible materials
Conditions to Avoid: High humidity, exposure to strong heat, contact with incompatible chemicals
Hazardous Decomposition Products: Sulfur oxides, nitrogen oxides, hydrogen fluoride, trifluoroacetic acid vapors, carbon oxides
Polymerization: Product will not polymerize
Acute Toxicity: Information not completely defined, likely low toxicity by oral, dermal, or inhalation routes (based on structural analogs); laboratory animals: LD50 (oral/rat) estimated >2000 mg/kg
Skin Corrosion/Irritation: May cause moderate skin irritation upon contact, patch testing suggested for sensitization risk
Serious Eye Damage/Irritation: Causes eye irritation, can redden or damage mucosal tissues, rinse promptly
Respiratory Sensitization: Not classified, but inhaling dusts may cause temporary respiratory tract discomfort
Ingestion Effects: Gastrointestinal upset (nausea, vomiting, abdominal pain) possible
Repeated Dose Toxicity: No chronic toxicity data currently available
Carcinogenicity, Mutagenicity, Reproductive Toxicity: Not classified, not tested for these endpoints
Other Health Effects: No known specific medical conditions aggravated by exposure, handle with caution to minimize risk
Acute Aquatic Toxicity: No direct test data available; structurally similar pyridinium compounds may be harmful to aquatic organisms at high concentrations
Persistence and Degradability: Expected to be moderately persistent; chemical not inherently biodegradable based on functional groups
Bioaccumulation Potential: Low to moderate risk due to limited hydrophobicity
Mobility in Soil: Soluble in water, likely mobile in aquatic environments; may bind to soil organic matter
Other Adverse Effects: Avoid release to environment, proper containment and disposal essential to prevent ecosystem impact
Ecotoxicity Testing: If spilled, inform local authorities as required by regulations
Disposal Methods: Collect and dispose of waste in accordance with national, regional, and local regulations; consult licensed hazardous waste contractor; incinerate or landfill in controlled manner if permitted
Container Disposal: Rinse empty containers well, render unusable before discarding, follow local protocols
Precautions: Do not dispose of through sewage or regular waste streams, prevent product from entering watercourses
UN Number: Not classified as hazardous for transport by road/rail/sea/air under current regulatory guidelines (consult most current regulations to confirm status)
Proper Shipping Name: Not regulated
Transport Hazard Class: Not assigned
Packing Group: Not assigned
Environmental Hazards: Not classified as marine pollutant
Special Transport Precautions: Package in sealed, labeled container, protect from vibration and physical damage during transit
Safety, Health, Environmental regulations: Product not listed on major chemical inventories (TSCA, EINECS/ELINCS, DSL, AICS); for research use only; regulatory status may vary by location
US Regulations: Not subject to SARA Title III sections 302, 304, or 313; not listed under CERCLA or RCRA hazardous wastes
International Regulations: Not classified as dangerous under GHS; not on REACH Candidate List; consult relevant national/international regulations periodically for updates
Labeling: Use GHS-compliant labels; provide SDS to users; document training and safety protocols for laboratory users
