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Product Name: 3-Nitro-4-Chlorobenzotrifluoride
Chemical Family: Aromatic halogenated nitro compound
Synonyms: 4-Chloro-3-nitrobenzotrifluoride, 1-chloro-2-nitro-4-(trifluoromethyl)benzene
CAS Number: 121-17-5
Recommended Use: Intermediate in pharmaceuticals, agricultural chemicals, dyes, and specialty chemicals
Supplier: Reach out to manufacturer or distributor for specific contact and emergency phone details
Emergency Telephone: CHEMTREC contact or local emergency number
Classification: Acute Toxicity (oral, inhalation); Eye and Skin Irritant; Specific Target Organ Toxicity
Signal Word: Warning
Hazard Statements: Harmful if swallowed or inhaled. Causes serious eye irritation. Causes skin irritation. May cause respiratory irritation.
Pictograms: Exclamation mark for toxicity/irritation
Precautionary Statements: Do not eat, drink or smoke when using this product. Wear protective gloves/protective clothing/eye protection/face protection. Do not breathe dust, fumes, mist, or vapors. Wash hands thoroughly after handling. If exposed or concerned, seek medical advice/attention.
Unusual Hazards: May release toxic gases, including hydrogen chloride and nitrogen oxides, during combustion.
Chemical Name: 3-Nitro-4-Chlorobenzotrifluoride
CAS Number: 121-17-5
Concentration: >99% by weight
Impurities: Possible minor content of closely related halogenated and nitrated aromatic compounds
Molecular Formula: C7H2ClF3NO2
Molecular Weight: 227.54 g/mol
Inhalation: Remove to fresh air and keep at rest. If symptoms persist, get medical attention. Provide oxygen if breathing is difficult.
Skin Contact: Remove contaminated clothing. Wash skin thoroughly with plenty of water and soap. Seek medical attention for persistent irritation, rash, or pain.
Eye Contact: Rinse immediately with plenty of water for at least 15 minutes, lifting upper and lower eyelids occasionally. Remove contact lenses if present and easy to do. Get medical attention right away.
Ingestion: Rinse mouth with water. Do not induce vomiting unless told to do so by medical personnel. Get immediate medical help.
Most Important Symptoms: Burning sensation, redness, coughing, difficulty breathing, headache, and nausea.
Immediate Medical Attention: Necessary after significant exposure, persistent symptoms, or ingestion.
Suitable Extinguishing Media: Dry chemical, carbon dioxide, or alcohol-resistant foam. Use water spray for larger fires.
Unsuitable Extinguishing Media: Direct water jet can spread product.
Specific Hazards: Decomposition releases toxic fumes such as hydrogen chloride, nitrogen oxides, and tri-fluorinated compounds.
Protective Equipment for Firefighters: Complete suit for chemical protection. Self-contained breathing apparatus (SCBA) is essential.
Fire/Explosion Hazards: Fine dust may form explosive mixtures with air. Careful handling minimizes dust.
Firefighting Procedures: Evacuate area, cool containers exposed to fire with water spray. Prevent fire-fighting water from entering waterways or sewers.
Personal Precautions: Evacuate unnecessary personnel. Wear suitable protective equipment such as gloves, splash goggles, and dust respirator.
Environmental Precautions: Prevent further leakage or spillage. Do not allow to enter drains, surface water, or soil.
Methods for Clean-Up: Avoid causing dust. Sweep up and collect in properly labeled, tightly sealed containers for disposal. Clean contaminated area with soap and water.
Spill Response: Ventilate area. Wash spill site after material pickup is complete. Report releases as required by local, state, or federal regulations.
Disposal of Material: Collected product and contaminated cleanup materials require safe disposal as hazardous chemical waste.
Safe Handling Practices: Handle in well-ventilated areas. Avoid contact with skin, eyes, and clothing. Avoid dust formation. Use with adequate ventilation, local exhaust preferred.
Avoid: Sources of ignition, heat, sparks, open flames.
Storage Conditions: Store in a cool, dry, well-ventilated area away from incompatible materials. Keep container tightly closed and properly labeled.
Storage Materials: Use containers lined with compatible materials; glass or certain plastics suitable.
Incompatibles: Strong oxidizing agents, strong bases, reducing agents.
Special Precautions: Segregate from food and feedstuffs. Prevent static discharge by grounding and bonding containers.
Exposure Limits: No established OSHA or ACGIH exposure limits specific to this substance. Treat as hazardous; minimize exposure.
Engineering Controls: Use with adequate general or local exhaust ventilation. Isolate process to prevent dust escape.
Personal Protective Equipment: Chemical resistant gloves (nitrile or similar), protective goggles, laboratory coat, suitable respiratory protection if ventilation inadequate.
Hygiene Measures: Do not eat, drink, or smoke while handling. Wash hands thoroughly after handling.
Environmental Controls: Prevent release into the environment. Use containment for dust.
Appearance: Pale yellow crystalline powder or solid
Odor: Mild, sweet aromatic odor
Melting Point: 58–62 °C
Boiling Point: 225–227 °C at atmospheric pressure
Density: 1.61 g/cm³ at 20 °C
Solubility (water): Insoluble
Solubility (other): Soluble in organic solvents like acetone, benzene, and ethanol
Vapor Pressure: Low at 20 °C
pH: Not applicable (non-aqueous solid)
Flash Point: Above 93 °C (closed cup)
Partition Coefficient (log Kow): Estimated 3.8–4.5
Auto-ignition Temperature: Data unavailable
Decomposition Temperature: > 230 °C
Evaporation Rate: Not determined
Stability: Chemically stable under normal temperature and pressure.
Hazardous Reactions: Vigorous reaction with strong oxidizers and bases. Incompatible with reducing agents.
Decomposition Products: Hydrogen chloride, nitrogen oxides, fluorinated organic vapors.
Polymerization: Not expected under normal conditions.
Conditions to Avoid: Excess heat, open flames, ignition sources, incompatible substances.
Corrosivity: Not corrosive to metals or tissue under standard conditions.
Acute Toxicity: LD50 (oral, rat): 420 mg/kg to 600 mg/kg; causes moderate toxicity if ingested.
Inhalation: May cause respiratory tract irritation; high levels can damage airway tissues.
Dermal Contact: Mild to moderate irritation, especially with prolonged exposure.
Eye Contact: Significant irritation, redness, possible corneal damage.
Chronic Toxicity: No robust chronic studies exist; long-term exposure may affect liver or kidney function based on similar compounds.
Carcinogenicity: Not classified by NTP, IARC, or OSHA as a human carcinogen.
Mutagenicity: No strong evidence from standard assays.
Reproductive Toxicity: No data available, treat conservatively.
Symptoms of Overexposure: Headache, nausea, dizziness, skin or eye redness, coughing.
Ecotoxicity: Harmful to aquatic organisms. May cause long-term adverse effects in the aquatic environment. LC50 for fish (96 h): estimated 8 to 30 mg/L.
Persistence and Degradability: Contains halogenated and nitro groups, tends to persist in soil and water. Readily degrades by sunlight (photolysis) but slowly in the absence of light.
Bioaccumulative Potential: Potential for bioaccumulation owing to high log Kow.
Mobility in Soil: Low water solubility limits mobility; adheres to organic matter.
Other Adverse Effects: Possible formation of toxic byproducts during incomplete combustion or improper disposal.
Behavior in Sewage Plants: Can disrupt microbial populations. Proper treatment minimizes risk.
Waste Disposal Methods: Manage as hazardous chemical waste. Use licensed chemical destruction or incineration facility complying with local and national regulations.
Container Disposal: Triple-rinse containers, destroy or dispose per government regulations.
Prohibition: Avoid disposal in household or general waste streams. Prevent entry into sewers or waterways.
Precautions: Handle all residues, rinsate, and contaminated materials as hazardous. Maintain full documentation for disposal records.
UN Number: Consult national/international regulations, commonly UN 3082 ("Environmentally hazardous substance, liquid/solid, n.o.s.")
Shipping Name: Based on hazard class, consult with shipping authority
Transport Hazard Classes: Class 9 (Miscellaneous dangerous substances); may be regulated as dangerous goods if in large quantities
Packing Group: III (minor hazard, but handle with care)
Environmental Hazards: Marine pollutant
Transport Labels: Environmentally hazardous substance, toxic
Special Precautions for User: Ensure container integrity and correct labeling. Ship in original, sealed containers with suitable cushioning.
US Regulations: Not listed as a hazardous air pollutant (HAP) under Clean Air Act. Section 313 (SARA Title III): Not present. Included in TSCA inventory.
EU Regulations: Subject to REACH; not classified as SVHC (Substance of Very High Concern). Requires clear labeling and safety documentation.
Label Elements: Hazards and safety phrases required. GHS-compliant labeling for exports.
Other National Regulations: Australia AICS: Listed. Canada DSL: Listed. Consult country-specific bodies for updates.
Workplace Exposure: Occupational use subject to training, PPE requirements, and exposure monitoring where relevant. Emergency plans must be in place where large quantities stored or used.
