MSDS for 1-Bromo-4-Tert-Butylbenzene

Identification

Product Name: 1-Bromo-4-Tert-Butylbenzene
Chemical Formula: C10H13Br
Synonyms: 4-tert-butylbromobenzene, p-t-butylbromobenzene
Recommended Use: Intermediate for organic synthesis, laboratory chemical
Supplier Identification: Name, address, telephone, and emergency contact for manufacturer or distributor
CAS Number: 4985-44-8
Relevant Uses Advised Against: Applications not intended by manufacturer, including pharmaceutical or food use unless specified

Hazard Identification

Classification: Skin irritation, Eye irritation, Acute toxicity (inhalation, oral, dermal), Environmental hazard (aquatic toxicity, long-term effects)
Signal Word: Warning
Hazard Statements: Causes skin and eye irritation, may cause respiratory irritation, harmful if swallowed or inhaled, hazardous to aquatic life with long-lasting effects
Pictograms: Exclamation mark, environment
Precautionary Statements: Avoid contact with eyes, skin, and clothing; wash thoroughly after handling; do not breathe mist, vapors, or spray; use outdoors or in a well-ventilated area
NFPA Ratings: Health: 2, Flammability: 1, Reactivity: 0
Other Hazards: Vapor may cause drowsiness or dizziness; contact may aggravate pre-existing skin or respiratory conditions

Composition / Information on Ingredients

Chemical Name: 1-Bromo-4-Tert-Butylbenzene
Common Name: 4-tert-butylbromobenzene
CAS Number: 4985-44-8
Concentration: 98-100%
Impurities and Stabilizers: Not significant for hazard under normal laboratory conditions; trace residual solvents possible depending on synthesis
Molecular Weight: 213.12 g/mol

First Aid Measures

Inhalation: Move person to fresh air—rest in semi-upright position; give oxygen if breathing is difficult; seek medical attention for ongoing symptoms, respiratory irritation, or coughing
Skin Contact: Remove contaminated clothing immediately; wash affected skin area with plenty of water and mild soap for at least 15 minutes; consult medical advice for persistent irritation, redness or burns
Eye Contact: Rinse cautiously with water for several minutes, remove contact lenses if present and easy, keep rinsing; seek medical help if pain, redness, or vision changes persist
Ingestion: Rinse mouth; do not induce vomiting; give water to dilute; seek urgent medical care—symptoms such as nausea, dizziness, or stomach upset should be evaluated by a healthcare professional
Most Important Symptoms and Effects: Burning sensation, redness, coughing, dizziness, headache; medical observation required for serious reactions

Fire-Fighting Measures

Suitable Extinguishing Media: Carbon dioxide, dry chemical powder, alcohol-resistant foam, water spray
Specific Hazards: Combustion generates toxic and irritating fumes—bromine, hydrogen bromide, carbon oxides may be released
Protective Equipment: Self-contained breathing apparatus, full protective gear for chemical fires
Advice for Firefighters: Keep people away from and upwind of fire source; cool exposed containers with water spray to prevent rupture; avoid inhaling fumes
Unusual Fire Hazards: Containers may burst in fire due to pressure build-up; run-off from fire control may cause environmental harm

Accidental Release Measures

Personal Precautions: Evacuate unnecessary personnel, provide adequate ventilation; wear gloves, lab coat, eye protection, suitable respiratory gear if mist or vapors present
Spill Control Methods: Cover spill with inert material (vermiculite, sand), collect into labeled container, seal and prepare for disposal
Environmental Precautions: Prevent material from entering sewers, streams, and soil; monitor runoff to minimize environmental contamination
Clean-up Techniques: Ventilate zone, use spark-proof tools, avoid skin contact, store all contaminated materials securely until proper disposal
Notification Procedures: Follow institutional or local government reporting standards in case of major release

Handling and Storage

Safe Handling Notes: Handle in fume hood, minimize dust and mist formation, avoid breathing vapors; keep away from heat and ignition sources
Personal Hygiene: Remove contaminated clothing, keep food and drink away from work area, wash hands thoroughly after handling
Storage Conditions: Store in tightly closed container, cool, dry, well-ventilated area; shield from direct sunlight, strong oxidizers, and acids
Incompatibilities: Avoid storing with strong bases, strong oxidizing agents, strong acids
Container Integrity: Ensure proper labeling and secondary containment; check for leaks before every use

Exposure Controls and Personal Protection

Engineering Controls: Use chemical fume hood, exhaust ventilation, avoid recirculation of contaminated air
Personal Protective Equipment: Gloves (nitrile or neoprene), safety goggles, lab coat, closed-toe shoes, face shield for splash risk
Respiratory Protection: Suitable respirator if ventilation inadequate or airborne concentrations exceed recommended limits
Threshold Limit Value (TLV): Not established for this material; general organic vapor limits may apply
Monitoring Guidance: Regular air sampling recommended if significant use in confined or poorly ventilated space
Exposure Limits: OSHA, ACGIH, NIOSH standards not specifically set for this compound; use caution with skin and respiratory exposure

Physical and Chemical Properties

Appearance: Clear to pale yellow liquid or solid (depending on temperature and purity)
Odor: Aromatic, slightly sweet
Melting Point: 21-24°C
Boiling Point: 243-246°C
Vapor Pressure: Low (approx. 0.03 mmHg at 25°C)
Density: 1.186 g/cm³ at 25°C
Solubility: Practically insoluble in water; soluble in organic solvents (ethanol, ether, benzene)
Partition Coefficient (log Kow): High (> 4; lipophilic)
Flash Point: Approximately 111°C (closed cup)
Evaporation Rate: Not rapid—slower than ethyl ether
Auto-Ignition Temperature: Not determined
Refractive Index: 1.539 @ 20°C

Stability and Reactivity

Chemical Stability: Stable under normal temperatures and handling; sensitive to extreme heat, strong acids, and oxidizers
Reactivity Notes: Reacts with strong oxidants, alkali metals, generating heat or toxic fumes
Hazardous Decomposition: Produces bromine, hydrogen bromide, carbon monoxide, carbon dioxide upon combustion or strong heating
Polymerization: Hazardous polymerization does not occur under standard lab conditions
Other Stability Concerns: Keep tightly sealed to avoid moisture or atmospheric exposure, which may degrade quality over time

Toxicological Information

Acute Toxicity: May be harmful if swallowed, inhaled or in contact with skin; precise LD50 data limited, but animal studies show moderate toxicity
Potential Health Effects: Skin contact—reddening, dryness or cracking; eye exposure—redness, watering, irritation; inhalation—coughing, sore throat; ingestion—abdominal discomfort, nausea
Chronic Toxicity: Long-term skin exposure could increase risk of dermatitis or sensitization
Carcinogenicity: Not classified by IARC, OSHA, NTP as a carcinogen
Reproductive Toxicity: No reliable data; precaution advised for pregnant or nursing handlers
Mutagenicity: Not sufficiently studied for this compound
Target Organs: Respiratory tract, skin, eyes
Symptoms of Overexposure: Headache, dizziness, nausea, fatigue from repeated or high-dose contact

Ecological Information

Aquatic Toxicity: Harmful to aquatic organisms, may cause long-term adverse effects in freshwater or marine environments
Bioaccumulation Potential: High due to log Kow indicating lipophilic character; could accumulate in aquatic biota
Persistence and Degradability: Not readily biodegradable; may persist and partition into sediment and organisms
Mobility in Soil: Low mobility—adsorbs to sediments and organic matter strongly
Additional Ecotox Data: Exact LC50/EC50 values not widely published for this chemical; prudent management prevents waterway contamination

Disposal Considerations

Disposal Methods: Chemical incineration with afterburner and scrubber advised; never pour into drains, soil, or surface water
Contaminated Packaging: Rinse thoroughly or triple-wash before disposal, destroy to prevent reuse; dispose of as hazardous waste
Reduction of Waste: Keep unused stocks in secure containers, minimize volume requiring disposal by precise inventory management
Regulatory Disposal Guidance: Adhere to federal, state, and local regulations—for the US, hazardous waste rules under RCRA apply

Transport Information

UN Number: Not assigned specific UN number for small laboratory volumes; treat as hazardous organic liquid
Proper Shipping Name: Organic liquid, n.o.s. (contains 1-Bromo-4-Tert-Butylbenzene)
Transport Hazard Class: 9 (Miscellaneous, environmentally hazardous substance)
Packing Group: III (minor hazard)
Labels: Environmentally hazardous substance
Special Transport Precautions: Avoid direct sunlight, transport in original sealed containers, secondary containment
International Transport Regulations: Comply with IMDG, IATA, ADR, U.S. DOT guidelines for hazardous material shipments

Regulatory Information

TSCA status: Listed or accepted for research and development in the United States
DSL/NDSL (Canada): Not widely registered; subject to notification under Canadian Environmental Protection Act
EU Regulations: Notified for REACH compliance as appropriate for importer or substance volume
SARA Title III: Chemical not listed for Section 302, 304, 313; general hazardous substance provisions apply
California Proposition 65: Not listed as carcinogen or reproductive toxicant by the State of California
Other Regulations: Subject to workplace safety and environmental protection rules under OSHA, EPA, and international equivalents
Labeling Requirements: GHS-compliant hazard and precautionary statements needed for workplace containers