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Product Name: 4-Nitrobenzyl Bromide
Chemical Formula: C7H6BrNO2
CAS Number: 100-11-8
Synonyms: p-Nitrobenzyl Bromide, 1-Bromo-4-nitrobenzene, 4-Nitrobenzylbromide
Recommended Use: Laboratory chemicals, synthesis of pharmaceutical intermediates
Supplier Information: Supplier contact information must include full business address, emergency telephone number, and email, enhancing accountability and traceability for users in both industrial and lab settings.
Emergency Contact: 24-hour emergency response hotline, accessible both domestically and internationally, assists in fast, informed crisis mitigation.
Classification: Harmful if swallowed, toxic by inhalation and in contact with skin, causes severe skin burns and eye damage, may cause respiratory irritation, considered an environmental hazard due to its aquatic toxicity.
GHS Label Elements: Skull and crossbones pictogram, corrosive pictogram, exclamation mark. Signal word: Danger.
Hazard Statements: Harmful if swallowed or inhaled, may cause severe skin and eye irritation, dangerous to aquatic environments with long-term effects.
Precautionary Statements: Use personal protective equipment. Do not breathe dust, vapors, or mist. Avoid release into the environment.
Routes of Exposure: Skin contact, eye contact, ingestion, inhalation.
Symptoms of Exposure: Burns, redness, blisters, coughing, respiratory distress, eye watering, abdominal pain, nausea, vomiting, headache, neurological symptoms from acute or repeated exposures.
Chemical Identity: 4-Nitrobenzyl Bromide
PURITY: At least 98% for laboratory-grade. Trace impurities may include 2-nitrobenzyl bromide or dibromobenzene but usually below 2%.
Concentration: 100% unless diluted
Common Impurities: Less than 2%, consisting mostly of unreacted starting material or structurally similar bromide organics.
Molecular Weight: 216.03 g/mol
General Advice: Remove contaminated clothing and shoes immediately. Seek medical help right away.
Inhalation: Move person outside to fresh air. If not breathing, apply artificial respiration. Monitor for signs of respiratory distress and provide oxygen if available.
Skin Contact: Rinse skin completely with plenty of water for at least 15 minutes. Use soap to thoroughly remove the chemical. Get medical attention immediately if irritation develops.
Eye Contact: Rinse eyes with water for at least 15 minutes, lifting eyelids to flush thoroughly. Remove contact lenses if present.
Ingestion: Rinse mouth with water, never give fluids to an unconscious person, do not induce vomiting without medical advice. Seek urgent medical care.
Most Important Symptoms: Redness, burning, itching, blisters, severe pain, labored breathing. Long exposure can aggravate asthma or lead to chemical burns of the esophagus.
Suitable Extinguishing Media: Dry powder, CO2, foam, or alcohol-resistant foam.
Unsuitable Extinguishing Media: Water can spread chemical contamination.
Specific Hazards: Decomposition releases toxic gases including nitrogen oxides, hydrogen bromide, and carbon monoxide. Risk of violent reaction in presence of strong oxidizers.
Special Protective Equipment for Firefighters: Full face self-contained breathing apparatus, chemical-resistant clothing, gloves, and boots. Firefighters should avoid inhalation of hazardous combustion by-products.
Specific Fire-Fighting Procedures: Approach fire from upwind, stay clear of low spots where vapors may settle, use water spray to cool containers but avoid spillage washdown.
Personal Precautions: Ventilate area of spill. Wear chemical splash goggles, gloves (nitrile or neoprene), and sturdy laboratory coat or apron.
Environmental Precautions: Prevent chemical from entering drains, watercourses, or soil. Build dikes around spill using absorbent material (sand, vermiculite).
Cleanup Methods: Do not touch or walk through spilled material. Sweep up carefully while avoiding dust, use HEPA vacuum for remaining residue. Place in sealed and labeled hazardous waste container.
Additional Guidance: Use only non-sparking tools. Clean contaminated area with soap and plenty of water, ensuring proper ventilation throughout the process.
Safe Handling Advice: Handle only inside a chemical fume hood. Avoid exposure to skin, eyes, and mucous membranes. Never eat, drink, or smoke where chemical is handled, processed, or stored.
Storage Conditions: Store in tightly closed glass or chemically resistant containers. Keep container in a cool, dry, well-ventilated place away from direct sunlight and incompatible substances (strong bases, oxidizers, reducing agents).
Incompatibilities: Strong acides, strong alkalis, oxidizing agents, reducing agents.
Technical Measures: Ensure containers are clearly labeled and monitored for leaks. Maintain chemical inventory control records to monitor stock rotation and avoid exceeding recommended shelf life.
Hygiene Considerations: Wash hands and exposed skin thoroughly after handling. Remove any contaminated work clothing and clean before reuse.
Occupational Exposure Limits: No official occupational exposure limit values established for 4-nitrobenzyl bromide, but exposure should be kept as low as possible due to its toxicity.
Engineering Controls: Work under local exhaust ventilation or within a chemical fume hood. Install eye wash and emergency shower stations in immediate work area.
Personal Protective Equipment: Chemical safety goggles, face shield for splash potential, disposable nitrile gloves rechanged frequently, lab coat or apron to avoid skin exposure.
Respiratory Protection: Use NIOSH-approved respirator for organic vapors and particulates if dusting or vapor generation occurs.
Environmental Controls: Avoid any significant release to air, water, or soil. Monitor air quality if handling on a large scale.
Appearance: Pale yellow to off-white crystalline solid, sometimes sold as a powder.
Odor: Slightly aromatic, pungent odor.
pH: Not applicable
Melting Point: 102-105 °C
Boiling Point: Decomposes before boiling
Flash Point: >110 °C (closed cup, estimated)
Flammability: May burn but not easily ignited.
Vapor Pressure: Very low at room temperature
Water Solubility: Insoluble. Soluble in organic solvents (ethyl acetate, acetone, chloroform).
Partition Coefficient (log Kow): 2.3–2.6
Decomposition Temperature: Above 150 °C
Density: 1.76–1.78 g/cm³ (20°C)
Evaporation Rate: Negligible under normal conditions
Other Properties: May stain work surfaces and clothing yellow.
Chemical Stability: Stable under recommended handling and storage conditions.
Hazardous Reactions: Reacts vigorously with strong bases, strong reducing agents, and strong oxidizers. Generates heat and toxic gases during breakdown.
Conditions to Avoid: Heat, flames, static electricity, moisture, and direct sunlight.
Materials to Avoid: Alkali metals, powders, ammonia, sodium hydroxide, peroxides.
Decomposition Products: Nitrogen oxides, hydrogen bromide, carbon monoxide, carbon dioxide, and traces of nitroso compounds.
Acute Toxicity: Expected oral and dermal LD50 in rats between 300–500 mg/kg. May cause convulsions, respiratory paralysis, and death at high doses. Inhalation exposure leads to burning sensation, cough, wheezing, headaches, and neurological symptoms.
Skin Corrosion/Irritation: Causes burns and blisters after prolonged contact.
Serious Eye Damage/Irritation: Can inflict severe irritation, risk of permanent eye damage.
Respiratory or Skin Sensitization: Not fully evaluated but cases reported of skin allergy in repeated contacts.
Carcinogenicity: Data insufficient, not listed by IARC, NTP, or OSHA as a known carcinogen, but organic nitro compounds often scrutinized for possible risk.
Mutagenicity and Reproductive Toxicity: Some studies noted mutagenic effects in bacterial assays; no documented evidence in humans or animals for reproductive toxicity.
Chronic Effects: May aggravate pre-existing lung or skin conditions.
Aquatic Toxicity: Toxic to aquatic organisms, may cause long-term adverse effects in aquatic environments. LC50 for fish estimated below 10 mg/L.
Persistence and Biodegradability: Persistent in most environments due to the nitro group and aromatic ring, slow biodegradation in normal sewage systems.
Bioaccumulative Potential: Moderate potential to bioaccumulate in aquatic species based on log Kow.
Mobility in Soil: Not readily leached due to low water solubility, may bind strongly to sediment and organic matter.
Other Adverse Effects: May be hazardous to insects and non-target soil organisms near the disposal area or spill zone.
Disposal Methods: Collect solid waste into sealed, properly labeled containers. Incinerate in approved chemical incinerators with afterburner and scrubber. Small laboratory quantities may be disposed of through licensed hazardous waste contractors.
Precautions for Disposal: Avoid mixing with general trash. Decontaminate clothing, tools, and containers before reuse or recycling.
Contaminated Packaging: Wash and neutralize for disposal or re-label and return to supplier for recycling or incineration.
Appropriate Regulations: Comply with local, regional, and national hazardous waste regulations to limit environmental and human health impact.
UN Number: UN 2811
Proper Shipping Name: Toxic solid, organic, n.o.s. (Contains 4-Nitrobenzyl Bromide)
Transport Hazard Class: 6.1: Toxic substances
Packing Group: III (substances presenting a low hazard)
Environmental Hazards: Mark as marine pollutant for ocean transport.
Special Precautions for Transport: Keep container tightly closed, dry, and upright during transport. Use secondary container if possible.
Additional Information: Always comply with ADR, IATA, and IMDG regulations and provide a 24-hour emergency telephone contact for shippers and carriers.
U.S. TSCA (Toxic Substances Control Act): Listed
EU Classification (CLP): Acute tox. 4; Skin Corr. 1B; Aquatic chronic 2
OSHA Hazards: Highly toxic, corrosive
SARA 313 (Superfund Amendments and Reauthorization Act): Not specifically listed
Right-to-Know Regulations (California Prop 65): Not listed
EINECS/ELINCS Number: 202-821-7
Other International Inventories: Registered in Canada, EU, China, Japan, Korea regulatory inventories
Labeling Requirements: Product label must show GHS hazard pictograms, appropriate hazard and precautionary statements, and emergency procedures in local language.
