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Material Safety Data Sheet: 5-Tert-Butyl-2,4,6-Trinitro-M-Xylene

Identification

Product Name: 5-Tert-Butyl-2,4,6-Trinitro-M-Xylene
Chemical Formula: C13H17N3O6
Synonyms: Tert-Butyl Trinitroxylene, TBTNX
Manufacturer: Laboratory & Industrial Chemicals Suppliers
Recommended Use: Organic synthesis, research, energetic material studies
Emergency Contact: National Poison Center, CHEMTREC Emergency Response
CAS Number: 131-73-7

Hazard Identification

GHS Classification: Explosive (Division 1.1D), Acute Toxicity (Oral, Category 3), Eye Damage/Irritation (Category 2A)
Signal Word: Danger
Hazard Statements: May explode under heat or shock, toxic if swallowed, may cause serious eye irritation, may damage organs on prolonged exposure
Pictograms: Exploding bomb, skull and crossbones, exclamation mark
Precautionary Statements: Keep away from heat, sparks, open flames, and hot surfaces; avoid breathing dust; wash thoroughly after handling; do not eat, drink or smoke when using this product

Composition / Information on Ingredients

Chemical Name: 5-Tert-Butyl-2,4,6-Trinitro-M-Xylene
CAS Number: 131-73-7
Concentration: 98-100%
Impurities: May contain traces of tri-, di-nitro derivatives; all present at (<2%) or below detection limits

First Aid Measures

Inhalation: Move to fresh air immediately. Seek medical attention if respiratory irritation, coughing, or breathing difficulty occurs or persists.
Skin Contact: Remove contaminated clothing, rinse exposed skin with plenty of water and soap. Medical attention required for persistent irritation.
Eye Contact: Rinse with copious amounts of water for at least 20 minutes, lifting eyelids occasionally. Seek emergency medical help.
Ingestion: Do not induce vomiting. Rinse mouth thoroughly. Contact poison control and obtain medical care without delay.

Fire-Fighting Measures

Suitable Extinguishing Media: Large volumes of water, deluge, or water spray. Do not use dry chemical, carbon dioxide, or foam due to high explosion hazard.
Specific Hazards: May detonate if subjected to heat, flame, friction, or impact. Produces toxic fumes: nitrogen oxides, carbon monoxide, carbon dioxide.
Protective Equipment: Full bunker gear and self-contained breathing apparatus; face shield, chemical-resistant suit due to risk of explosion.
Special Procedures: Evacuate fire and explosion risk zone, extinguish from a safe distance, avoid entering confined areas with product involved.

Accidental Release Measures

Personal Precautions: Remove ignition sources, use non-sparking tools, evacuate unnecessary personnel.
Environmental Precautions: Prevent entry into water systems, sewers, drains, or soil. Notify local environmental agencies if release occurs.
Cleanup Methods: Dampen solid spill carefully with water to prevent dust, scoop into secure containers under inert atmosphere. Dispose as hazardous explosive waste.

Handling and Storage

Handling: Use smallest quantity required, ground all equipment, minimize friction, avoid mechanical shock and static discharge. Wear suitable protective clothing and eye/face protection.
Storage: Store in secure, cool, well-ventilated, explosion-proof facility with temperature control below 20°C. Segregate from flammable, combustible, reducing agents, and incompatible chemicals. Keep tightly closed in approved explosive storage containers with clear hazard signage.

Exposure Controls and Personal Protection

Occupational Exposure Limits: No established occupational exposure guidelines; minimize exposure to lowest practical level.
Engineering Controls: Use local explosion-proof exhaust ventilation, process enclosure, and safety barriers.
Personal Protective Equipment: Chemical splash goggles, flame-retardant gloves, lab coat, face shield, and antistatic footwear. Use approved respirators for dust or vapor if ventilation is inadequate.

Physical and Chemical Properties

Appearance: Pale yellow to green crystalline solid, bitter almond-like odor
Molecular Weight: 323.29 g/mol
Melting Point: 152–155°C
Boiling Point: Decomposes before boiling
Density: 1.50 g/cm³
Solubility: Insoluble in water, soluble in acetone, ether, and organic solvents
Vapor Pressure: Negligible at room temperature
Explosive Properties: High explosive, sensitive to heat, friction, and impact
Decomposition Products: Nitrogen oxides, carbon monoxide, carbon dioxide
Flash Point: Not applicable; product decomposes explosively before reaching flash point

Stability and Reactivity

Chemical Stability: Highly sensitive, unstable under heat, shock or spark. Decomposes explosively at elevated temperature.
Incompatibilities: Strong acids, bases, reducing agents, metals, organic combustibles, and oxidizers.
Hazardous Decomposition Products: Releases toxic gases including nitrogen oxides and carbon oxides on combustion or decomposition.
Polymerization: Does not undergo polymerization.

Toxicological Information

Acute Toxicity: Oral LD50 (rat) estimated <50 mg/kg.
Skin Irritation: Causes irritation with redness, irritation, prolonged exposure may aggravate pre-existing dermatitis.
Eye Damage: Contact causes pain, redness, watering and blurred vision.
Inhalation: Inhalation of dust leads to respiratory tract irritation, coughing, headache, dizziness, or cyanosis.
Chronic Effects: Prolonged or repeated exposure may cause damage to liver, kidneys, blood (methemoglobinemia), nervous system.
Carcinogenicity: No IARC, NTP, or OSHA ratings; insufficient animal or human data available.
Symptoms of Exposure: Headache, nausea, twitching, methemoglobinemia, cyanosis, collapse in severe cases.

Ecological Information

Ecotoxicity: Extremely hazardous to aquatic life due to toxicity and persistence.
Persistence and Degradability: Resistant to natural degradation processes; may persist in environment for extended periods.
Bioaccumulation: Possibility of bioaccumulation exists in aquatic organisms.
Mobility: Limited volatility, low solubility means it can accumulate in soils or sediments.
Other Adverse Effects: Harmful effects on soil microorganisms, long-term impacts on food chains.

Disposal Considerations

Disposal Method: Treat as hazardous waste, collect residue and contaminated material in explosion-proof containers, provide for controlled high-explosive incineration at licensed facility.
Safety Precautions: Waste should never be disposed through drains or general waste. Transfer, handling, and transport to be undertaken by trained explosives disposal personnel only.
Regulatory Compliance: Follow local, national, and international hazardous chemical and explosives disposal regulations; consult licensed hazardous waste contractor.

Transport Information

UN Number: UN 1317
Proper Shipping Name: Explosive, Solid, N.O.S. (contains 5-Tert-Butyl-2,4,6-Trinitro-M-Xylene)
Transport Hazard Class: 1.1D (Explosives with mass explosion hazard)
Packing Group: I (greatest danger)
Labeling: Explosive (Class 1), keep away from heat, handle according to international Maritime and Air transport regulations
Additional Requirements: Ship only with compliance to International Maritime Dangerous Goods (IMDG) Code, International Air Transport Association (IATA) regulations, and local explosive handling laws.

Regulatory Information

TSCA Status: Subject to chemical inventory reporting for manufacturing, import, and use in the United States.
OSHA: Covered under Process Safety Management for highly hazardous chemicals.
EPA: Listed hazardous waste (RCRA D003 - reactive hazardous waste).
DOT: Regulated as an explosive under Hazardous Materials Regulations.
ECHA/REACH (Europe): Subject to restrictions on manufacture, import, and use; registration may be required.
Other: All handling restricted to properly licensed facilities and trained personnel due to its high explosive hazard and acute toxicity.