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Material Safety Data Sheet for P-Bromophenyl Isocyanate

Identification

Product Name: P-Bromophenyl Isocyanate
Synonyms: 1-Isocyanato-4-bromobenzene, 4-Bromophenyl isocyanate
Chemical Formula: C7H4BrNO
CAS Number: 586-98-1
Intended Use: For research, analytical, and industrial applications; not for drug, food, or household use
Supplier Information: Name, address, emergency contact number provided by manufacturer or distributor
Emergency Contact: Local poison control center or specific manufacturer’s emergency line

Hazard Identification

GHS Classification: Acute Toxicity (Oral): Category 3; Skin Corrosion/Irritation: Category 2; Serious Eye Damage/Irritation: Category 2A; Respiratory Sensitizer: Category 1
Signal Word: Danger
Hazard Statements: Toxic if swallowed or inhaled; causes skin irritation; causes serious eye irritation; may cause allergy or asthma symptoms or breathing difficulties
Pictograms: Skull and crossbones, exclamation mark, health hazard
Precautionary Statements: Avoid breathing dust, fume, gas, mist, vapors, and spray; use only outdoors or in well-ventilated area; wash thoroughly after handling; wear protective gloves, clothing, eye protection, and face protection
Potential Health Effects: Harmful in contact with skin; may cause allergic skin and respiratory reactions; irritates respiratory tract
Environmental Hazards: Harmful to aquatic life; may cause long-lasting effects, avoid release

Composition / Information on Ingredients

Chemical Name: P-Bromophenyl Isocyanate
Common Name: 4-Bromophenyl isocyanate
CAS Number: 586-98-1
EC Number: 209-580-3
Concentration: 98–100%
Impurities: Trace amounts of related phenyl isocyanates or brominated impurities

First Aid Measures

Inhalation: Move exposed person to fresh air; keep at rest in a position comfortable for breathing; seek immediate medical attention if symptoms persist
Skin Contact: Remove contaminated clothing; rinse skin immediately with plenty of water for at least 15 minutes; get medical advice if irritation occurs
Eye Contact: Rinse carefully with water for several minutes; remove contact lenses if present, continue rinsing; seek medical attention
Ingestion: Do not induce vomiting; rinse mouth with water; seek immediate medical assistance
Most Important Symptoms: Respiratory difficulty, skin sensitization, burning sensation, coughing, irritation
Special Attention: Immediate medical intervention essential in case of exposure through inhalation or eye contact

Fire-Fighting Measures

Suitable Extinguishing Media: Dry chemical, foam, or carbon dioxide; water spray may be used to cool containers but do not use water directly on substance
Unsuitable Media: Avoid high-pressure water that can spread material
Specific Hazards: May decompose under fire conditions, emitting toxic gases including hydrogen bromide, nitrogen oxides, carbon oxides
Protective Equipment for Firefighters: Self-contained breathing apparatus and full protective suit required; isolate hazard area and deny unnecessary entry
Special Procedures: Prevent fire-extinguishing water from contaminating surface water or groundwater system; remove containers from fire area if safe

Accidental Release Measures

Personal Precautions: Evacuate unprotected personnel; ventilate area; avoid breathing vapors and contact with skin and eyes; use appropriate respiratory protection
Environmental Precautions: Prevent further leakage or spillage if safe to do so; do not allow material to enter drains or watercourses
Methods for Cleanup: Collect spillage with inert absorbent (sand, earth); transfer to suitable, labeled waste container; clean area with copious amounts of water and detergent
Reference to Other Sections: Use appropriate personal protective equipment as described under Exposure Controls

Handling and Storage

Handling: Use only in well-ventilated fume hood; avoid inhalation, ingestion, and skin contact; prevent generation of aerosols or dust
Storage Conditions: Store in a cool, dry, tightly closed container; avoid exposure to light and moisture; store away from incompatible substances such as strong acids, bases, oxidizers
Incompatible Materials: Strong oxidizing agents, water/moisture (can react to release carbon dioxide and heat), amines, alcohols
Storage Area: Clearly labeled with restricted access; protect from physical damage, properly ventilated

Exposure Controls and Personal Protection

Exposure Limits: No specific limits established; minimize exposure using appropriate controls
Engineering Controls: Local exhaust ventilation recommended; safety shower and eyewash station nearby
Personal Protective Equipment (PPE): Chemical-resistant gloves; safety goggles or face shield; lab coat or coveralls; in case of inadequate ventilation, suitable respirator
Hygiene Measures: Wash hands thoroughly after handling; remove contaminated clothing; avoid touching face or exposed skin during use
Environmental Controls: Prevent release to the environment; use containment for all processes

Physical and Chemical Properties

Appearance: Off-white to pale yellow crystalline solid or powder
Odor: Sharp, pungent chemical odor
Melting Point: 49–52°C
Boiling Point: 278–281°C
Vapor Pressure: Low at room temperature
Solubility: Decomposes in water; soluble in organic solvents such as acetone, benzene
Density: 1.7–1.8 g/cm³
pH: Not applicable
Flash Point: Approximately 110°C (closed cup)
Stability in Solution: Decomposes in presence of moisture
Other Data: May darken on exposure to air or light

Stability and Reactivity

Chemical Stability: Stable under recommended storage conditions; sensitive to moisture and light
Hazardous Reactions: Reacts with water, amines, strong acids and bases, alcohols to form heat, gases (CO₂), possibly toxic compounds
Decomposition Products: Hydrogen bromide, nitrogen oxides, carbon monoxide, carbon dioxide
Polymerization: May occur in presence of water or excessive heat; can generate heat, pressure
Incompatibility: Avoid contact with water, strong oxidizing agents, acids, and bases

Toxicological Information

Routes of Exposure: Inhalation, ingestion, skin, and eye contact
Acute Toxicity: Oral LD50 (rat) approx. 300–500 mg/kg; toxic by inhalation and ingestion
Skin Corrosivity/Irritation: Causes irritation, possible blistering
Eye Damage/Irritation: Irritating, risk of serious eye effects on contact
Sensitization: May cause allergic skin and respiratory reactions
Repeated Dose Toxicity: Chronic exposure can result in respiratory sensitization; asthma-like symptoms, dermatitis
Carcinogenicity/Mutagenicity/Reproductive Toxicity: No reliable long-term studies available, but phenyl isocyanates not listed as carcinogenic by IARC, NTP, or OSHA
Other Health Effects: Cough, shortness of breath, potential for delayed pulmonary edema

Ecological Information

Aquatic Toxicity: Toxic to aquatic organisms, may cause long-term effects in the aquatic environment
Mobility: Low mobility, slowly hydrolyzes in soil and water
Persistence and Degradability: Hydrolyzes in moist air and water, forming corresponding amines and CO₂
Bioaccumulation: No significant bioaccumulative potential expected for the parent compound
Other Adverse Effects: Release to waterways should be strictly avoided to prevent persistent local effects on aquatic biota

Disposal Considerations

Waste Treatment Methods: Waste generated from unused or contaminated material must be disposed at a licensed chemical waste facility; do not allow material to reach sewage system
Contaminated Packaging: Dispose as hazardous chemical waste; containers should be rinsed and neutralized under guidance
Special Precautions: Do not mix with other waste streams; follow all applicable local, regional, and national regulations
Recommended Disposal: Incineration under controlled conditions best prevents environmental contamination

Transport Information

UN Number: 2206
Proper Shipping Name: ISOCYANATES, TOXIC, N.O.S. (p-Bromophenyl isocyanate)
Transport Hazard Class: 6.1 (Toxic substances)
Packing Group: II
Marine Pollutant: Yes
Environmental Hazards: Substance hazardous to the aquatic environment; proper packaging and labeling required for all modes of transport
Special Transport Precautions: Secure packaging, keep away from foodstuff, emergency procedures for accidental release; follow IMDG, IATA, ADR, and other modal guidelines

Regulatory Information

US Regulations (OSHA, TSCA): Listed on TSCA inventory; regulated as hazardous under OSHA 29 CFR 1910.1200
European Regulations (REACH, CLP): Subject to registration rules under REACH; classified and labeled according to CLP Regulation (EC) No 1272/2008
Other International Regulations: Included in local country chemical inventories; transport regulations under UN, IATA, IMDG as toxic, environmentally hazardous substance
WHMIS Classification (Canada): Toxic Material; sensitizer
California Proposition 65: Not on Proposition 65 list of chemicals known to cause cancer, birth defects, or reproductive harm
Other Labelling Requirements: Product and packaging must state hazard class, precautionary statements, and manufacturer information as per GHS