Product Name: 4-(2,2,2-Trifluoroacetyl)Benzonitrile
Chemical Formula: C9H4F3NO
Synonyms: 4-Cyanobenzoyl Trifluoromethane
CAS Number: 65736-86-9
Use: Used in pharmaceutical intermediate research, chemical synthesis.
Supplier: Information available on the commercial label or purchasing documents
Emergency Contact: Refer to local poison control or facility SDS sheet coordinator
Signal Word: Warning
Signal Symbols: Exclamation mark, Health hazard pictograms
GHS Classification: Acute Oral Toxicity Category 4, Eye Irritation Category 2A
Hazard Statements: Harmful if swallowed, Causes serious eye irritation
Precautionary Statements: Wash hands after handling, Use personal protection, Avoid contact with eyes or skin
Routes of Entry: Inhalation, skin, ingestion, eye
Target Organs: Eyes, respiratory tract, gastrointestinal tract
Potential Health Effects: Irritation, possible allergic reactions, respiratory discomfort, headache if inhaled in dust form
Chemical Identity: 4-(2,2,2-Trifluoroacetyl)Benzonitrile
Purity: Over 98%
Impurities: Precise impurities differ by synthesis lot, generally trace solvents or manufacturing residuals
Additives: None typically present for laboratory grade
Known Allergens: No recognized allergens
Inhalation: Move patient to fresh air, keep warm and rested, seek medical attention for persistent symptoms
Eye Contact: Rinse eyes continuously with water for at least 15 minutes, seek medical advice for irritation
Skin Contact: Remove contaminated clothing, wash affected area with soap and water thoroughly
Ingestion: Rinse mouth, do not induce vomiting, consult physician immediately with substance container or label
Symptoms: Eye redness, tearing, coughing, headache, skin irritation
Immediate Attention: Required if symptoms persist or large exposure suspected
Suitable Extinguishing Media: Dry chemical, foam, carbon dioxide, water spray for larger fires
Specific Hazards: Toxic fumes including hydrogen fluoride, nitrogen oxides, carbon monoxide, cyanide compounds may form
Protective Equipment for Fire Fighters: Self-contained breathing apparatus, full protective gear
Firefighting Precautions: Stay upwind, prevent runoff from entering drains, use water spray to cool containers
Explosion Risk: Low under normal handling; decomposition possible at high temperature
Personal Precautions: Wear chemical-resistant gloves, safety goggles, laboratory coat; avoid dust generation
Spill Containment: Absorb with suitable inert material (vermiculite, sand), collect in a sealable chemical waste container
Environmental Precautions: Prevent spill from entering sewers, soil, or water sources
Cleanup Methods: Ventilate area, use non-sparking tools, decontaminate surface thoroughly after removal
Decontamination: Wash area with detergent and large amounts of water
Handling: Keep containers tightly closed, avoid breathing dust, prevent skin and eye contact, use exhaust ventilation
Storage: Store in a cool, dry, and well-ventilated place, away from incompatible materials such as acids and bases
Container Requirements: Use sealed, appropriately labeled chemical containers
Specific Conditions: Keep out of direct sunlight, avoid humidity, segregate from flammable or reactive chemicals
Hygiene Practices: Wash hands before eating, drinking, or smoking after handling chemical
Engineering Controls: Use chemical fume hood or local exhaust ventilation
Personal Respiratory Protection: Use a NIOSH-certified mask if dust or vapor levels are high
Eye Protection: Wear safety goggles with side shields
Skin Protection: Wear chemical-resistant gloves (nitrile or neoprene), lab apron or coat
Other Protective Equipment: Facilities should have eyewash stations and safety showers
Exposure Limits: No established ACGIH or OSHA exposure limits for this compound
State: Solid
Appearance: White to off-white crystalline powder
Odor: Faint characteristic, not likely irritating
Molecular Weight: 199.13 g/mol
Melting Point: 85-90 °C
Boiling Point: Not readily available, likely decomposes before boiling
Solubility: Slightly soluble in water, soluble in organic solvents (acetonitrile, methanol, DMSO)
Density: Not precisely established, estimated ~1.3 g/cm³
Vapor Pressure: Low at room temperature
Partition Coefficient: Not established, expect moderate lipophilicity
pH (in solution): Not directly applicable
Chemical Stability: Stable under recommended storage conditions
Possibility of Hazardous Reactions: Reacts with strong acids, strong bases, oxidizing agents
Conditions to Avoid: Excessive moisture, strong heating, direct sunlight, incompatible chemicals
Decomposition Products: Carbon oxides, nitrogen oxides, hydrogen fluoride, trace cyanide fumes possible
Polymerization: Not known to occur
Likely Routes of Exposure: Skin contact, inhalation, ingestion, eye contact
Acute Toxicity: Moderate acute oral and inhalational toxicity suspected from structure
Symptoms: Eye redness, tearing; cough, corrosive effects if swallowed in quantity
Chronic Effects: Data scarce for chronic toxicity; avoid repeated exposure
Sensitization: Not reported but possible due to aromatic nitrile group
Carcinogenicity: No data, not listed IARC/OSHA/NTP
Mutagenicity: Not tested
Reproductive Toxicity: No data
Aquatic Toxicity: Low solubility limits acute hazard, precise data unavailable
Persistence: Likely to persist in environment due to aromatic-cyano structure
Bioaccumulation: Potential, but no measured data
Mobility: Low in soil, higher in organic phases
Degradability: Expected slow; resistant to hydrolysis and rapid biodegradation
Special Notes: Avoid uncontrolled release, prevent contamination of water and soil
Disposal Methods: Place all waste and contaminated materials into sealed containers for disposal at licensed chemical waste facility
Incineration: Permitted using licensed hazardous waste incinerator
Neutralization: Not recommended, requires proper assessment
Contaminated Packaging: Rinse thoroughly, dispose of as chemical waste
Local Regulations: Observe all federal, state, and local environmental disposal laws
UN Number: Not assigned for small laboratory quantities, check regulations for bulk movement
Proper Shipping Name: Laboratory Chemicals, N.O.S.
Hazard Class: Class 6.1 (Toxic substances) if transported in significant quantity
Packing Group: III (for low toxicity solids)
Transportation Precautions: Keep containers closed, protect from damage, avoid direct handling
Environmental Hazards: Prevent transport with foodstuffs, avoid transport with incompatible materials
TSCA: Listed or applicable under research exemption
EINECS/ELINCS: Listed for relevant European regulations
REACH: Compliance essential for EU import and handling
SARA Title III: Not hazardous under current lists
California Proposition 65: Not known to contain listed carcinogens or reproductive toxins
Labeling: Hazard pictograms and signal word “Warning” required, GHS hazard statements
Workplace Regulations: OSHA-compliant labeling and documentation, access for employees
Special Requirements: Handle as laboratory chemical, follow appropriate local workplace and environmental safety protocols
