MSDS for Phthalonitrile

Identification

Product Name: Phthalonitrile
Chemical Name: 1,2-Benzenedicarbonitrile
Synonyms: Benzene-1,2-dicarbonitrile, 1,2-Dicyanobenzene
CAS Number: 91-15-6
Manufacturer: Commonly produced by specialty chemical suppliers and major manufacturers dealing in aromatic nitriles.
Chemical Formula: C8H4N2
Molecular Weight: 128.13 g/mol
Recommended Use: Synthesis of high-temperature polymers, organic synthesis, dyes, pigment precursors
Contact Information for Supplier: Emergency and non-emergency phone numbers listed on original packaging or supplier documentation.

Hazard Identification

Classification: Acute toxicity (oral, inhalation, dermal), skin and eye irritation, potential chronic effects depending on exposure
Signal Word: Warning
Hazard Statements: Harmful if swallowed, in contact with skin, or inhaled. Causes skin and eye irritation. May cause respiratory tract irritation.
Pictograms: Exclamation mark (GHS07)
Precautionary Statements: Avoid breathing dust or fumes. Wash hands thoroughly after handling. Wear protective gloves, clothing, eye and face protection. Do not eat, drink, or smoke when using product.
Potential Health Effects: Inhalation may cause coughing, irritation to respiratory tract, dizziness. Direct contact may cause redness, irritation, dermatitis. Ingestion can produce nausea, vomiting, abdominal pain.
Environmental Effects: Toxic to aquatic life if released in large quantities.

Composition / Information on Ingredients

Chemical Identity: Phthalonitrile
Concentration: 98–100% pure in most laboratory specimens
CAS Number: 91-15-6
Impurities/Additives: May contain trace solvents or reaction byproducts from synthesis, typically less than 2%.

First Aid Measures

Inhalation: Remove from exposure to fresh air. Seek medical attention if symptoms develop or persist. Oxygen or artificial respiration may be necessary in severe cases.
Skin Contact: Wash skin thoroughly with soap and water for at least 15 minutes. Remove contaminated clothing and shoes. Seek medical attention for persistent irritation or burns.
Eye Contact: Rinse gently with water for at least 15 minutes, lifting eyelids occasionally to ensure thorough flushing. Remove contact lenses if possible. Contact a physician right away.
Ingestion: Rinse mouth with plenty of water. Do not induce vomiting. Get immediate medical advice or call poison control.
Notes to Physician: Treat symptomatically. Monitor for respiratory depression and neurological complications, provide supportive care as indicated.

Fire-Fighting Measures

Suitable Extinguishing Media: Use water spray, dry chemical, carbon dioxide, foam. Avoid straight streams of water that can spread the substance.
Unsuitable Extinguishing Media: Do not use direct water jet on burning material.
Specific Hazards: Combustion can release toxic gases such as hydrogen cyanide, nitrogen oxides, carbon monoxide.
Protective Equipment: Wear self-contained breathing apparatus and full protective gear as toxic fumes may be present.
Fire Fighting Instructions: Evacuate area, fight fire from upwind to avoid hazardous fumes, cool exposed containers with water spray.
Hazardous Combustion Products: Hydrogen cyanide, benzene derivatives, nitrogen oxides.

Accidental Release Measures

Personal Precautions: Isolate spill. Limit access to authorized personnel. Use personal protective equipment, ventilate area.
Environmental Precautions: Prevent further leakage or spillage, do not allow product to enter drains, surface water or soil. Alert local authorities to possible contamination.
Cleanup Methods: Collect spilled material with non-combustible, absorbent substances (sand, earth, vermiculite), place in suitable, labeled waste containers. Wash spill site with detergent and water after initial clean-up.
Decontamination: Mop up thoroughly, ventilate area. Dispose in accordance with local, state, and federal regulations.

Handling and Storage

Safe Handling: Use only in well ventilated areas, avoid breathing dust or fumes, avoid contact with skin and eyes. Keep containers sealed when not in use. Do not handle near sources of ignition. Use non-sparking tools where necessary.
Storage Conditions: Store in tightly closed containers, in a cool, dry, well-ventilated place. Protect from sunlight and incompatible materials (strong acids, bases, oxidizing agents).
Incompatible Materials: Strong oxidizers, acids, alkali.
Specific End Uses: For research and industrial manufacturing according to approved guidelines. Keep away from food, beverages, and animal feed.

Exposure Controls and Personal Protection

Occupational Exposure Limits: No established US OSHA or ACGIH exposure limits for phthalonitrile; caution should guide exposure limitations due to observed toxicity in animal studies.
Engineering Controls: Local exhaust ventilation, process enclosure, emergency eyewash stations, and showers.
Respiratory Protection: If dust or fumes occur, use approved respirators with appropriate filters.
Eye/Face Protection: Tight-fitting safety goggles and face shield to avoid splashes.
Skin Protection: Chemical-resistant gloves (nitrile, neoprene), lab coat or coveralls.
General Hygiene: Always wash hands after handling. Remove contaminated clothing and wash before reuse.

Physical and Chemical Properties

Appearance: White to light yellow crystalline powder
Odor: Faint aromatic
Odor Threshold: Not established
Melting Point/Freezing Point: 139–141°C
Boiling Point: 295°C (decomposes)
Flash Point: 170°C (closed cup)
Evaporation Rate: Not applicable
Flammability: Combustible solid
Upper/Lower Flammability Limits: Not determined
Vapor Pressure: Negligible at 25°C
Vapor Density: < 1 (air = 1)
Relative Density: 1.19 g/cm³
Solubility: Insoluble in water; soluble in many organic solvents (acetone, dimethyl sulfoxide, etc.)
Partition Coefficient (n-octanol/water): Not available
Auto-ignition Temperature: Not determined
Decomposition Temperature: >295°C
Viscosity: Not applicable (solid)

Stability and Reactivity

Reactivity: Stable under recommended storage and handling conditions.
Chemical Stability: Stable at room temperature in closed containers.
Possibility of Hazardous Reactions: No polymerization reported under normal conditions.
Conditions to Avoid: Excessive heat, open flame, incompatible materials.
Incompatible Materials: Strong oxidizers, acids, bases.
Hazardous Decomposition Products: Hydrogen cyanide, carbon monoxide, nitrogen oxides under fire or extreme heat.

Toxicological Information

Likely Routes of Exposure: Inhalation, skin and eye contact, ingestion
Acute Toxicity: Rats show oral LD50 in the range of 640 mg/kg (literature data). Harmful by ingestion and inhalation.
Skin Corrosion/Irritation: Causes irritation and possible dermatitis with repeated or prolonged contact.
Serious Eye Damage/Irritation: May cause moderate to severe eye irritation.
Respiratory Effects: Dust exposures can cause respiratory discomfort, coughing, and throat irritation.
Chronic Toxicity: Long-term exposure data is limited; potential to cause dermatitis and sensitization.
Carcinogenicity: No evaluation by IARC, NTP or OSHA listed chemicals.
Mutagenicity and Reproductive Toxicity: There is no conclusive data indicating mutagenic or reproductive effects in humans.
Other Effects: Prolonged or repeated exposure may impact the nervous system due to cyanide generation on breakdown or extreme conditions.

Ecological Information

Ecotoxicity: Harmful to aquatic life based on chemical class. Large releases may cause long-term adverse effects.
Persistence and Degradability: Not rapidly biodegradable in typical environmental conditions.
Bioaccumulative Potential: Moderate potential, low water solubility and strong affinity for organic matter.
Mobility in Soil: Low based on solubility data.
Other Adverse Effects: Cyanide derivatives formed on degradation may present additional hazard to wildlife. Do not discharge into water bodies untreated.

Disposal Considerations

Disposal Methods: Dispose of in accordance with local, regional, and national regulations for hazardous chemicals. Incineration in chemical incinerator equipped with afterburner and scrubber recommended.
Contaminated Packaging: Empty containers must be triple rinsed, then disposed as hazardous waste.
Special Precautions: Do not discharge into drains, soil, or surface waters. Seek advice from waste management authorities for specific recommendations.

Transport Information

UN Number: Not assigned for phthalonitrile under most transport regulations.
UN Proper Shipping Name: Not regulated as hazardous for transport in small quantities, but large shipments may need to be classed based on toxicity.
Transport Hazard Class: N/A unless in quantities or packaging that increase hazard potential
Packing Group: Consult supplier or regulatory agencies for bulk shipments.
Environmental Hazards: Not a marine pollutant in smaller packaged volumes.
Special Precautions for Transport: Avoid direct contact, keep container upright, ventilate to prevent dust accumulation.

Regulatory Information

US Federal Regulations: Not specifically listed under CERCLA, SARA Title III, or TSCA. General chemical handling and hygiene practices apply.
European Union: REACH registration may be required; not on the SVHC list. Labeling according to current EU requirements for hazardous mixtures.
Other Regulations: All local workplace safety, chemical storage and environmental protection laws govern handling and usage.
Labeling Requirements: Follow GHS or country-specific hazard communication standards. Display appropriate pictograms and warnings.
Worker Protection: Adhere to good laboratory and industrial hygiene standards. Monitor exposure and incorporate engineering controls based on risk assessment findings.