Material Safety Data Sheet: Pentachlorobenzonitrile

1. Identification

Product Name: Pentachlorobenzonitrile
Chemical Formula: C7Cl5N
Synonyms: PCBN, 1,2,3,4,5-Pentachlorobenzene-6-carbonitrile
Recommended Use: Intermediate for chemicals and pesticides
Supplier: [Supplier details]
Emergency Contact: [Relevant local emergency phone numbers]
UN Number: 3077
Product Code: [Internal code]

2. Hazard Identification

Classification: Acute Toxicity (Oral, Inhalation, Dermal); Skin and Eye Irritant; Very toxic to aquatic life with long lasting effects
Hazard Statements: Toxic if swallowed; Harmful if inhaled or in contact with skin; May cause long-term adverse effects in the environment
Pictograms: Skull and crossbones, environment hazard
Signal Word: Danger
Precautionary Statements: Avoid release to the environment; Wear protective gloves/clothing/eye protection/face protection; Wash hands thoroughly after handling

3. Composition / Information on Ingredients

Chemical Name: Pentachlorobenzonitrile
CAS Number: 20940-46-9
EC Number: 244-130-5
Concentration: ≥99% weight
Impurities: Minor traces of related compounds possible, including tetrachlorobenzonitriles

4. First Aid Measures

Inhalation: Remove affected person to fresh air immediately. Seek medical advice if breathing is difficult. Monitor for respiratory symptoms, provide oxygen if necessary.
Skin Contact: Remove contaminated clothing, rinse skin with plenty of water. Wash thoroughly with soap. Obtain medical attention if irritation continues.
Eye Contact: Rinse eyes cautiously with water for several minutes, keeping eyelids apart. Remove contact lenses if present. Seek medical attention.
Ingestion: Rinse mouth, keep victim calm and warm. Do not induce vomiting. Seek medical support immediately and provide information about product.
Main Symptoms: Headache, nausea, dizziness, irritation of skin and eyes, respiratory discomfort

5. Fire-Fighting Measures

Suitable Extinguishing Media: Dry chemical, foam, or carbon dioxide for small fires. Use water spray or fog for larger fires.
Hazards From Combustion: Emits toxic and corrosive fumes such as hydrogen chloride, nitrogen oxides, phosgene on burning.
Protective Equipment: Full protective gear, self-contained breathing apparatus required.
Specific Fire-Fighting Methods: Isolate fire area, avoid breathing vapors. Cool containers with water spray to prevent pressure build-up.
Explosion Sensitivity: Not sensitive to shock or static discharge
Special Advice: Prevent run-off from entering drains or waterways

6. Accidental Release Measures

Personal Precautions: Avoid contact with skin, eyes, and clothing. Evacuate area and ensure adequate ventilation.
Environmental Precautions: Prevent product from entering drains, sewers, or waterways. Notify authorities if entry occurs.
Emergency Procedures: Use personal protective equipment including chemical-resistant gloves, coveralls, and eye/face protection.
Spill Clean-up: Contain spill using earth, sand, or inert material. Collect and transfer to suitable, labelled containers for disposal.
Decontamination: Wash area with water and detergent after removal. Dispose of cleaning agents as hazardous waste.

7. Handling and Storage

Handling: Use in well-ventilated area. Avoid breathing dust, vapor, or mist. Do not eat, drink, or smoke during use. Immediately clean spills. Minimize dust generation.
Storage Conditions: Store in tightly closed container, away from incompatible substances such as strong acids or alkalis, oxidizing agents.
Temperature Requirements: Store in a cool, dry, well-ventilated facility. Keep away from direct sunlight, heat, and ignition sources.
Special Requirements: Lock storage area. Limit access to trained personnel.

8. Exposure Controls and Personal Protection

Exposure Limits: No established OSHA or ACGIH exposure limits. Minimize occupational exposure by engineering controls.
Engineering Controls: Use process enclosures, local exhaust ventilation, or other engineering controls to limit exposure.
Personal Protective Equipment (PPE): Wear chemical-resistant gloves (nitrile or neoprene), full body coveralls, and safety goggles or face shield. Use approved respirator in absence of adequate ventilation.
Hygiene Measures: Remove and wash contaminated clothing before reuse. Wash hands, face, and exposed skin thoroughly after handling.

9. Physical and Chemical Properties

Appearance: White to off-white crystalline powder
Odor: Mild aromatic odor
Odor Threshold: Not determined
Melting Point: 185-189°C
Boiling Point: Decomposes before boiling
Solubility: Practically insoluble in water, soluble in organic solvents (acetone, benzene, chloroform)
pH: Not applicable
Density: 1.85–1.92 g/cm³
Vapor Pressure: <0.01 mmHg at 20°C
Partition coefficient (Log Kow): Estimated >4
Flash Point: Not applicable
Autoignition Temperature: >400°C
Decomposition Temperature: >200°C
Evaporation Rate: Not determined

10. Stability and Reactivity

Chemical Stability: Stable under recommended storage and handling conditions. Deteriorates with strong heating.
Reactivity: Not reactive at room temperature in absence of incompatible materials.
Incompatible Materials: Strong acids, alkalis, oxidizing agents
Hazardous Reactions: May release hazardous gases (hydrogen chloride, phosgene) on decomposition
Polymerization: Will not occur

11. Toxicological Information

Acute Toxicity: Toxic by oral, dermal, and inhalation exposure. LD50 (oral, rat): 32–70 mg/kg. LD50 (dermal, rabbit): 210 mg/kg.
Chronic Effects: Prolonged exposure may affect liver, kidneys, and nervous system. May cause damage to organs through prolonged or repeated exposure.
Skin/Eye Irritation: Causes irritation to skin and eyes
Respiratory Effects: Causes irritation to mucous membranes, coughing, shortness of breath. Repeated inhalation may lead to respiratory tract damage.
Mutagenicity/Carcinogenicity: Data insufficient, but some halogenated benzonitriles linked to genotoxic effects
Reproductive Toxicity: No specific data, but precaution warranted
Target Organs: Liver, kidneys, CNS, skin

12. Ecological Information

Ecotoxicity: Highly toxic to aquatic life, with acute and chronic effects on fish, daphnia, and algae. LC50 (fish): low μg/L range.
Persistence: Not readily biodegradable; persistent in soil and water.
Bioaccumulation: High potential for bioaccumulation due to Log Kow >4.
Mobility: Low mobility in soil, binds strongly to particles.
Environmental Impact: Long-term ecological risk via accumulation in sediments and food chains.

13. Disposal Considerations

Disposal Methods: Dispose of waste through licensed hazardous waste contractor. Incinerate in approved facility.
Contaminated Packaging: Treat containers as hazardous, ensure full decontamination or secure disposal by authorized company.
Precautions: Do not allow product or residue to enter watercourses, drains, or environment.
Regulatory References: Comply with local, regional, and national legislation on hazardous waste disposal.

14. Transport Information

UN Number: 3077
Proper Shipping Name: Environmentally hazardous substance, solid, n.o.s. (Pentachlorobenzonitrile)
Transport Hazard Class: 9 (Miscellaneous dangerous substances and articles)
Packing Group: III
Labels: Environmentally hazardous, Toxic
Marine Pollutant: Yes
Special Precautions for Transport: Protect from moisture and physical damage, keep away from food and feedstuffs, ensure containers are securely sealed and correctly labelled.
Regulatory References: ADR, IMDG, IATA

15. Regulatory Information

TSCA (US): Listed
EINECS/ELINCS (EU): Listed
REACH (EU): May be subject to registration, authorization, or restriction
OSHA Hazards: Acute toxicity, hazardous substance
WHMIS (Canada): D1B (Toxic material), D2A (Very toxic material causing other toxic effects), D2B (Irritant)
Other Information: Check local and regional requirements for workplace exposure, environmental release, and product safety measures; appropriate documentation and communication of hazards should take priority in workplaces handling this chemical