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Chemical Name: Benzotrifluoride Isocyanate
Common Names: BTF Isocyanate
CAS Number: 4024-16-8
Use: Intermediate in chemical synthesis, research applications
Supplier Information: Manufacturer or distributor contact details including address, phone number, and emergency telephone number
Classification: Acute toxicity, inhalation; skin irritation; eye damage; respiratory sensitizer; specific target organ toxicity, single exposure
GHS Label Elements: Signal word: Danger; Hazard pictograms: Skull and crossbones, Exclamation mark, Health hazard
Hazard Statements: Toxic if inhaled, causes severe skin burns and eye damage, may cause allergic skin and respiratory reaction
Precautionary Statements: Avoid breathing dust, fumes, gas, mist, vapors, spray; wear suitable protective clothing and equipment; use only outdoors or in well-ventilated area; wash hands thoroughly after handling
Chemical Identity: Benzotrifluoride Isocyanate
Synonyms: α,α,α-Trifluorotoluene isocyanate
CAS Number: 4024-16-8
Concentration: 98% or higher
Impurities: Trace amounts of related isocyanates or solvent residues, as specified by supplier
Inhalation: Remove person to fresh air, provide oxygen if breathing is difficult, seek immediate medical attention
Skin Contact: Remove contaminated clothing, rinse skin with plenty of water for at least fifteen minutes, seek medical advice
Eye Contact: Rinse cautiously with water for several minutes, remove contact lenses if present and easy, continue rinsing, get medical attention
Ingestion: Do not induce vomiting, rinse mouth thoroughly, seek emergency medical help
Medical Advice: Physician should treat symptomatically, monitor for respiratory distress or skin sensitization, provide supportive care as needed
Suitable Extinguishing Media: Dry chemical, carbon dioxide, foam, water spray for large fires
Unsuitable Media: Direct water jet due to risk of violent reaction
Specific Hazards: Emits toxic fumes including hydrogen fluoride, nitrogen oxides, carbon monoxide upon combustion
Firefighting Instructions: Wear self-contained breathing apparatus and full protective gear, approach fire from upwind to avoid hazardous fumes
Fire Hazard Characteristics: Contact with water can produce heat and toxic gases; substance may release irritating vapors under fire conditions
Personal Precautions: Evacuate unnecessary personnel, ventilate area, avoid inhalation of vapors, prevent contact with skin or eyes
Environmental Precautions: Prevent product from entering groundwater, sewers, streams; alert authorities if contamination occurs
Containment: Halt source of leak if safe, absorb with inert material such as sand or earth, collect for proper disposal
Cleanup Methods: Collect residues using tools resistant to chemicals, provide adequate ventilation, dispose in accordance with regulations; decontaminate area with appropriate neutralizing agent (e.g., sodium bisulfite solution)
Handling Practices: Keep container tightly closed, use only with local exhaust or adequate ventilation, avoid formation of aerosols
Hygiene Measures: Wash hands, forearms, and face after handling, do not eat, drink or smoke in work area
Storage Requirements: Store in cool, dry, well-ventilated place away from direct sunlight, heat sources, moisture, acids, amines, alcohols
Compatible Materials: Store in original container or chemically compatible containers made of glass or PTFE
Incompatible Materials: Water, strong oxidizing agents, strong acids and bases, alcohols, amines
Occupational Exposure Limits: No established OSHA or ACGIH limits, adopt strict internal controls; if available, local regulations may apply
Engineering Controls: Use chemical fume hood or local exhaust ventilation; maintain negative pressure in work area when possible
Personal Protection: Wear chemical-resistant gloves (nitrile, neoprene), full-length protective clothing, closed shoes, chemical splash goggles, face shield
Respiratory Protection: Use approved respirator with appropriate filter when exposure exceeds occupational limits or if ventilation is inadequate
Control of Environmental Exposure: Use spill containment materials, neutralize residues, prevent uncontrolled environmental release
Appearance: Colorless to pale yellow liquid
Odor: Sharp, irritating odor
pH: Not applicable (reacts with water)
Melting Point: Data not readily available (typically below room temperature)
Boiling Point: Estimated around 100-120°C at atmospheric pressure
Flash Point: High due to lack of flammability, but proper testing required due to volatility
Vapor Pressure: Moderate at 20°C
Solubility: Decomposes in water, miscible with many organic solvents
Density: Approximately 1.3 g/cm³ at 20°C
Auto-Ignition Temperature: Data not available—use caution in heated conditions
Partition Coefficient (n-octanol/water): Data not available; strong tendency to hydrolyze in water
Chemical Stability: Stable under recommended storage conditions but reacts readily with moisture or protic substances
Reactivity: Reacts exothermically with water, alcohols, acids, amines to release heat and toxic gases
Hazardous Decomposition Products: Toxic vapors including hydrogen fluoride, nitrogen oxides, carbon monoxide, and isocyanate fumes
Conditions to Avoid: Exposure to moisture, elevated temperatures, incompatible materials
Polymerization Risk: Risk of hazardous polymerization in contact with water or amines
Routes of Exposure: Inhalation, skin contact, eye contact, ingestion
Acute Effects: Severe irritation or burns to skin, eyes, and respiratory tract; symptoms include coughing, choking, eye burns, skin reddening, blister formation
Chronic Effects: Risk of sensitization by skin contact or inhalation over time, possible damage to lungs, liver, kidneys after repeated exposure
Toxicity Data: Animal studies show low LD50 values (high acute toxicity), especially by inhalation; skin absorption risks noted
Carcinogenicity: Not classified as known carcinogen by IARC, NTP, or OSHA
Other Information: Delayed symptoms such as asthma, allergy, dermatitis, or respiratory distress may occur due to sensitization
Ecotoxicity: Likely toxic to aquatic organisms; risk of adverse effects to fish, daphnia, and algae due to isocyanate hydrolysis and release of fluorinated byproducts
Persistence and Degradability: Undergoes hydrolysis in moist environments, forms stable degradation products including fluorinated benzoic acids
Bioaccumulative Potential: Limited information; some metabolites may accumulate in aquatic or terrestrial organisms
Mobility in Soil: Hydrolysis products may migrate through soil and affect groundwater
Other Adverse Effects: No data on ozone depletion or global warming potential, but fluorinated compounds raise environmental concerns
Safe Disposal Methods: Incineration at approved facility recommended to destroy isocyanate group and prevent release into environment
Waste Treatment: Neutralize small amounts with sodium bisulfite under supervision; absorb residues onto inert material for collection
Container Disposal: Triple rinse container with compatible solvent, destroy or recycle according to local regulations
Precautions: Do not pour into drains, surface water, or soil
Regulatory Status: Handle and dispose according to federal, regional, and local environmental control regulations; consult waste disposal professionals as required
UN Number: UN 2270
UN Proper Shipping Name: Benzotrifluoride Isocyanate
Transport Hazard Class: 6.1 (Toxic substance)
Packing Group: II
Labeling Requirements: Toxic, Corrosive
Special Precautions: Secure containers, provide documentation and correct labeling, emergency procedures in case of leakage or spill during transit
Transport Regulations: Comply with local, national and international road, rail, air and sea transport requirements
EmS Number (Sea): F-A, S-A for fire and spill codes
Environmental Hazards: Marine pollutant due to toxicity to aquatic life
TSCA (US): Listed
REACH (EU): Registration may be required for import, handling, and processing in the European Union
OSHA: Regulated as toxic and corrosive substance; subject to hazard communication standards
WHMIS (Canada): Classified as toxic, corrosive, and dangerous for the environment; requires appropriate labeling and training in workplaces
Other Regulations: Subject to regulation under Chemical Weapons Convention (CWC) if used or produced in bulk; must be reported if handled at threshold quantities
Restrictions: Use limited to qualified professionals with appropriate training and authorization; compliance documentation may be required for transport, disposal, and emissions
