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Material Safety Data Sheet: Pentachloronitrobenzene

Identification

Product Name: Pentachloronitrobenzene
Synonyms: PCNB, Quintozene
Chemical Family: Organochlorine compound
Recommended Use: Fungicide, chemical intermediate
Supplier/Manufacturer: Refer to company-specific information
CAS Number: 82-68-8
Emergency Contact: Chemtrec 1-800-424-9300 or regional poison control center

Hazard Identification

GHS Classification: Acute Toxicity (Oral, Category 4), Skin Irritation (Category 2), Eye Irritation (Category 2A), Carcinogenicity (Category 2), Hazardous to the aquatic environment - chronic (Category 1)
Signal Word: Warning
Hazard Statements: Harmful if swallowed, causes skin irritation, causes serious eye irritation, suspected of causing cancer, very toxic to aquatic life with long lasting effects
Pictograms: Exclamation Mark, Health Hazard, Environment
Route of Exposure: Inhalation, ingestion, skin and eye contact
Target Organs: Liver, kidneys, nerves
Potential Health Effects: Eye redness and swelling, skin rash, headache, nausea, respiratory symptoms, possible long-term liver and kidney impact

Composition / Information on Ingredients

Chemical Name: Pentachloronitrobenzene
Concentration: ≥98%
CAS No.: 82-68-8
Impurities: Hexachlorobenzene, traces of unreacted chlorinated compounds
Additives/Stabilizers: None noted

First Aid Measures

Inhalation: Move the person to fresh air, keep at rest, seek medical attention if symptoms persist
Skin Contact: Remove contaminated clothing, wash skin thoroughly with soap and water, do not use solvents or thinners
Eye Contact: Rinse cautiously with water for at least 15 minutes, remove contacts after 5 minutes if present and easy to do, continue rinsing, consult an ophthalmologist
Ingestion: Rinse mouth with water, do not induce vomiting, never give anything by mouth to an unconscious person, call poison control immediately
Most Important Symptoms: Irritation, abdominal pain, weakness, headache, possible allergic reaction

Fire-Fighting Measures

Suitable Extinguishing Media: Dry chemical, foam, carbon dioxide, water spray (do not use direct water jet)
Unsuitable Extinguishing Media: Direct high-pressure streams that may spread contaminants
Specific Hazards: Toxic fumes may release (hydrogen chloride, nitrogen oxides, phosgene) under fire
Protection for Firefighters: Full protective suit, self-contained breathing apparatus (SCBA)
Firefighting Instructions: Contain runoff, avoid inhaling combustion gases, evacuate downwind area

Accidental Release Measures

Personal Precautions: Evacuate unnecessary personnel, ventilate area, wear protective gloves, goggles, and mask
Environmental Precautions: Prevent further leakage or spillage if safe, do not let product enter drains, soil, or waterways
Containment and Cleanup: Shovel or sweep up material and place into a suitable closed container, avoid dust generation, wash affected area with plenty of water, dispose as hazardous waste following local regulations

Handling and Storage

Safe Handling: Avoid contact with eyes, skin, and clothing, use personal protective equipment, avoid generating dust, wash hands after handling, keep containers tightly closed when not in use
Storage Recommendations: Store in a cool, dry, well-ventilated area, away from direct sunlight and incompatible substances such as strong acids, bases, and oxidizers, keep out of reach of children
Storage Conditions: Do not store above 30°C, keep away from food and animal feed, use corrosion-resistant containers

Exposure Controls and Personal Protection

Occupational Exposure Limits: No ACGIH TLV or OSHA PEL established for pentachloronitrobenzene, follow general nuisance dust limits (10 mg/m³ for total particulate, 5 mg/m³ for respirable fraction)
Engineering Controls: Use local exhaust or general room ventilation to minimize exposure
Personal Protective Equipment: Chemical-resistant gloves (nitrile or neoprene), safety goggles, long-sleeved lab coat or coveralls, approved respirator for dust/mist if ventilation is inadequate
Hygiene Measures: Remove and wash contaminated clothing, avoid eating, drinking, or smoking in work areas, practice good hand hygiene

Physical and Chemical Properties

Appearance: White to light tan crystalline solid
Odor: Faint aromatic
Odor Threshold: Not available
pH: Not applicable (insoluble in water)
Melting Point/Freezing Point: 140-146°C
Boiling Point: Decomposes before boiling
Flash Point: Not easily flammable (combustible at elevated temperatures)
Evaporation Rate: Not applicable
Flammability (solid, gas): Not classified as flammable
Vapor Pressure: <0.01 mPa at 20°C
Vapor Density: Not applicable
Relative Density: 1.7–1.8 g/cm³
Solubility: Slightly soluble in water (0.1–0.2 mg/L), more soluble in organic solvents such as acetone and ethanol
Partition Coefficient (n-octanol/water): log Kow 4.0–4.5
Auto-Ignition Temperature: >400°C
Decomposition Temperature: >150°C
Viscosity: Not applicable
Explosive Properties: Not explosive
Oxidizing Properties: Not oxidizing

Stability and Reactivity

Chemical Stability: Stable under normal conditions of storage and handling
Incompatible Materials: Strong acids, strong bases, oxidizing agents
Hazardous Decomposition Products: Hydrogen chloride, nitrogen oxides, phosgene, carbon monoxide, carbon dioxide
Conditions to Avoid: Excessive heat, direct sunlight, moisture, open flames
Reactivity: May react with strong reducing agents
Polymerization: Hazardous polymerization not expected

Toxicological Information

Routes of Exposure: Inhalation, ingestion, dermal contact, eye contact
Acute Toxicity Data: Oral LD50 (rat): 850 mg/kg; Dermal LD50 (rabbit): >2,000 mg/kg; Inhalation LC50 not well defined
Skin Irritation: Causes moderate irritation
Eye Irritation: Causes severe irritation
Respiratory Effects: Irritation to nasal passages and throat, coughing and shortness of breath at high concentrations
Chronic Effects: Liver and kidney damage, possible nerve effects, potential carcinogenicity (IARC: Group 2B - possibly carcinogenic to humans)
Mutagenicity: Mixed evidence of mutagenic potential in laboratory tests
Reproductive Toxicity: Insufficient data in humans; animal studies show no definitive risk at low levels

Ecological Information

Aquatic Toxicity: Highly toxic to aquatic life (Fish LC50 (96h) 0.36 mg/L; Daphnia EC50 (48h) 0.13 mg/L)
Persistence and Degradability: Persistent in the environment, slow to degrade biologically
Bioaccumulative Potential: High potential for bioaccumulation (BCF >500)
Mobility in Soil: Low mobility, binds strongly to soil organic matter
Other Adverse Effects: May cause long-term adverse effects in the aquatic environment, breakdown products can be more toxic and persistent

Disposal Considerations

Waste Disposal Methods: Treat as hazardous waste, incineration in a licensed facility preferred
Container Disposal: Triple rinse empty containers and offer for recycling or disposal in accordance with local, regional, and national regulations
Special Precautions: Do not allow to enter drains, waterways, or soil, avoid contamination of ground and surface waters
Disposal Regulations: Follow all applicable waste disposal laws and guidelines for hazardous chemicals

Transport Information

UN Number: 2761
Proper Shipping Name: Pentachloronitrobenzene, solid, toxic
Transport Hazard Class: 6.1 (Toxic substances)
Packing Group: III
Labels Required: Toxic Substance label
Marine Pollutant: Yes
Special Transport Precautions: Keep segregated from food and feedstuffs during transit, protect containers from damage, handle and store in accordance with carrier and governmental regulations

Regulatory Information

U.S. EPA Status: Registered pesticide, subject to RCRA and CERCLA reporting requirements
OSHA: Not specifically regulated under OSHA but general duty clause applies
SARA Title III: Listed as hazardous; subject to reporting under sections 302/304 (EHS), 311/312 (Hazard Categories: acute, chronic, environmental), 313 (Toxic Chemical Release Inventory)
TSCA: Listed in U.S. inventory
California Proposition 65: May require notification for cancer hazard
EU Regulations: Hazardous under CLP regulation, subject to REACH restrictions
Other International Regulations: Notified under PIC (Rotterdam Convention); restrictions in several countries based on hazard profile