Product Name: 3-Methoxy-5-Trifluoromethylbenzonitrile
Chemical Formula: C9H6F3NO
CAS Number: 55489-11-3
Synonyms: 5-Cyano-1-methoxy-3-(trifluoromethyl)benzene
Manufacturer: Chemical supplier or laboratory distributor
Contact Information: Company address and emergency telephone number
Recommended Uses: Laboratory research, chemical synthesis
Restrictions: Not intended for food, drug, or household use
Classification: Acute toxicity (oral, dermal, inhalation), eye irritation, specific target organ toxicity
GHS Label Elements: Signal word: Warning, hazard pictogram: exclamation mark
Hazard Statements: Harmful if swallowed, may cause respiratory irritation, may cause eye and skin irritation
Precautionary Statements: Avoid breathing dust or fumes, wash hands after handling, use only outdoors or in well-ventilated areas
Other Hazards: No information on long-term effects in humans, release to environment should be limited to protect aquatic life
Chemical Name: 3-Methoxy-5-Trifluoromethylbenzonitrile
Concentration: >98% by weight
Hazardous Components: Not mixed with other hazardous chemicals
Impurities: Trace organic solvents from synthesis, not expected above 1%
Molecular Weight: 201.15 g/mol
Inhalation: Move to fresh air, watch for symptoms like dizziness or coughing, provide oxygen if available
Skin Contact: Remove contaminated clothing, rinse skin with plenty of water, wash area with mild soap, seek medical attention for persistent irritation
Eye Contact: Rinse cautiously with water for several minutes, remove contacts if present, keep eye open during rinsing, seek medical attention for pain or redness
Ingestion: Rinse mouth, do not induce vomiting, drink water if conscious, seek immediate medical attention
Most Important Symptoms: May include irritation, sore throat, nausea, headache
Advice for Doctors: Treat symptomatically, monitor respiratory and neurological status
Suitable Extinguishing Media: Use dry chemical, foam, or CO2; water spray suitable for small fires
Unsuitable Media: Direct water jet for large quantities due to possible spread
Hazards from Fire: Toxic fumes may form under fire conditions, including carbon monoxide, hydrogen fluoride, nitrogen oxides
Protective Equipment: Wear self-contained breathing apparatus, protective clothing
Special Procedures: Isolate scene, use water spray to cool containers, prevent runoff into drains
Personal Precautions: Use protective gloves, goggles, wear dust mask or respirator if powder present
Environmental Precautions: Block discharge to environment, avoid contamination of soil and water, contain spill with inert absorbent
Methods for Clean-Up: Sweep up and shovel material into properly labeled waste container, ventilate area, wash contaminated surfaces with soap and water
Emergency Procedures: Evacuate non-essential personnel, provide adequate ventilation
Handling: Avoid contact with skin, eyes, and clothing, handle in fume hood, wear appropriate PPE
Storage: Store in a tightly closed container, keep in cool, dry, well-ventilated place, segregate from incompatible substances like strong oxidizers and acids
Other Recommendations: Label containers clearly, maintain spill control materials nearby, engineer controls for dust collection
Engineering Controls: Ventilated enclosure, eye wash station, safety shower
Personal Protective Equipment: Chemical-resistant gloves (e.g., nitrile), splash goggles, lab coat; use respirator if dust or fumes generated
Exposure Limits: No established OSHA or ACGIH limits; use good laboratory hygiene practices
Occupational Hygiene: Wash hands before breaks, avoid eating or drinking in work area
Appearance: White to off-white crystalline solid
Odor: Faint chemical odor
pH: Data not available
Melting Point: 61-64 °C
Boiling Point: 236-238 °C (estimated)
Flash Point: >110 °C (estimated)
Solubility: Low in water, soluble in organic solvents (e.g., DMSO, acetone)
Density: About 1.3 g/cm3 (estimated)
Vapor Pressure: Very low at room temperature
Partition Coefficient (log Kow): Not determined
Explosive Properties: Not known to be explosive
Other Data: Stable under normal storage, strong odor in confined space may cause discomfort
Chemical Stability: Stable under recommended storage and normal temperatures
Incompatible Materials: Strong oxidizing agents, reducing agents, strong acids
Hazardous Decomposition Products: May form toxic gases including carbon monoxide, nitrogen oxides, hydrogen fluoride under combustion
Conditions to Avoid: Excess heat, open flames, direct sunlight, dust formation
Polymerization: No hazardous polymerization expected
Routes of Exposure: Inhalation, skin and eye contact, ingestion
Acute Effects: Harmful if swallowed, may cause gastrointestinal discomfort, eye and skin irritation reported with direct contact
Chronic Effects: No specific long-term studies available, repeated exposure could aggravate respiratory or skin conditions
Sensitization: Not reported, but precaution advised
Carcinogenicity/Mutagenicity: Not listed as carcinogen by IARC, NTP, or OSHA; no mutagenicity data available
LD50 Values: No precise data for compound, related aromatic nitriles have LD50 (oral, rat) between 300-2000 mg/kg
Other Data: Full medical evaluation recommended if accidentally exposed
Aquatic Toxicity: No specific test data, related compounds show moderate toxicity to aquatic life
Persistence and Degradability: Not readily biodegradable, may persist in soil or water
Bioaccumulation Potential: Low to moderate based on predicted partition coefficient
Mobility in Soil: Expected limited mobility, adsorption to soil particles likely
Other Adverse Effects: Avoid contamination of waterways, recommend containment measures to protect environment
Waste Treatment: Treat as hazardous organic laboratory waste
Container Disposal: Rinse thoroughly and dispose according to local, regional, and national regulations
Recommended Method: High-temperature incineration by licensed facility
Non-Recyclable Material: Do not release to sewage system
Precaution: Handle all residues with gloves, label waste container appropriately
UN Number: Not assigned (not regulated for transport under most shipping codes)
Proper Shipping Name: Not listed as a dangerous good
Transport Hazard Class: Not applicable
Packing Group: Not classified
Special Precautions: Package securely to prevent leaks or dust; always include labelling, transport in accordance with state and federal regulations
Environmental Hazards: Avoid spillage during transit; prevent exposure to extreme temperatures
TSCA Inventory: Appears on US TSCA inventory
SARA 313: Not subject to reporting
California Proposition 65: Not listed
REACH Compliance: Check with supplier for EU requirements
Other Regulations: Not classified as hazardous chemical under GHS globally harmonized system, verify additional restrictions in destination country or state
