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MSDS for 3-[3-(4-Bromobiphenyl-4-Yl)-3-Hydroxy-1-Phenylpropyl]-4-Hydroxycoumarin

Identification

Product Name: 3-[3-(4-Bromobiphenyl-4-Yl)-3-Hydroxy-1-Phenylpropyl]-4-Hydroxycoumarin
Synonyms: Not established in commercial registries
Manufacturer: Information pending based on research laboratory or supplier
Product Code: Internal assignment depending on batch and provider
Recommended Use: For research and development, not for diagnostic or therapeutic use
Emergency Contacts: Emergency services number for chemical incidents, consult local authority
Chemical Family: Coumarin derivative
Molecular Formula: C30H21BrO3
Molecular Weight: Approximately 509.39 g/mol
Address for Inquiries: Use principal investigator or chemical hygiene officer on site

Hazard Identification

Hazard Classification: Harmful if swallowed, may cause irritation to skin, eyes, and respiratory tract
Signal Word: Warning
Main Hazards: Skin and eye irritation potential, possible toxicity after ingestion, unknown long-term health effects
Pictogram: Exclamation mark (GHS07)
Routes of Entry: Inhalation, skin contact, eye contact, ingestion
Symptoms of Exposure: Redness, itching, possible nausea, respiratory discomfort
Carcinogenicity: Not evaluated by IARC, NTP, OSHA at this time
Precautionary Statements: Avoid inhalation, avoid physical contact, use personal protective equipment
Target Organs: Not established, use caution for all organ systems involved in chemical exposure

Composition / Information on Ingredients

Chemical Name: 3-[3-(4-Bromobiphenyl-4-yl)-3-hydroxy-1-phenylpropyl]-4-hydroxycoumarin
Purity: Normally exceeds 95% for research purposes
Impurities: Trace amounts of manufacturing solvents or by-products
CAS Number: Not registered, proprietary or custom synthesis
Other Ingredients: None identified or intentionally included
Stabilizing Additives: Absent unless otherwise specified by supplier
Formulation: Supplied as pure solid or in a designated compatible solvent

First Aid Measures

Eye Contact: Rinse with water for at least 15 minutes, remove contact lenses if present and easy to do, seek medical attention for persistent irritation
Skin Contact: Wash area with soap and plenty of water, remove contaminated clothing, consult medical professional if irritation develops
Inhalation: Move to fresh air, support breathing as needed, seek medical help if breathing remains difficult or symptoms persist
Ingestion: Rinse mouth thoroughly, do not induce vomiting, obtain medical advice
Notes to Physician: Symptomatic treatment as required based on clinical presentation
Immediate Actions: Ensure affected individual is not left unattended, monitor for delayed symptoms

Fire-Fighting Measures

Suitable Extinguishing Media: Water spray, carbon dioxide, alcohol-resistant foam, dry chemical
Unsuitable Extinguishing Media: Water jet for extensive liquid spills
Hazardous Combustion Products: Carbon oxides, bromine-containing fumes, phenolic vapors
Special Protective Equipment: Firefighters should use self-contained breathing apparatus, protective clothing
Fire Hazards: Decomposition at high temperatures releases potentially toxic gases
Specific Methods: Use water spray to cool containers, prevent fire spread, avoid inhaling smoke or vapors
Explosion Risk: No known explosive properties, but dust may present ignition hazard under specific conditions

Accidental Release Measures

Personal Precautions: Wear lab coat, gloves, eye protection, avoid inhalation
Spill Response: Isolate spill area, ventilate location, avoid raising dust
Cleanup Methods: Collect solid with suitable absorbent or tool, store in chemical waste container
Decontamination: Wash area with detergent and water, prevent material from entering drains
Environmental Precautions: Prevent release into surface water, soil, and sewage systems
Reporting: Inform chemical hygiene officer or environmental health and safety group

Handling and Storage

Precautionary Handling: Use with adequate ventilation or in fume hood, avoid skin and eye contact
Safe Storage: Store in cool, dry, and well-ventilated space, keep container tightly closed
Incompatibilities: Strong acids, strong bases, oxidizing agents, reducing agents
Temperature Considerations: Maintain at ambient or lower temperatures, follow supplier’s recommended range
Personal Hygiene: Wash hands after handling, avoid eating or drinking in work area
Storage Containers: Use compatible chemical glassware or supplier-provided packaging

Exposure Controls and Personal Protection

Occupational Exposure Limits: Not established for this compound
Engineering Controls: Mechanical exhaust required, use chemical fume hood during procedures
Protective Equipment: Safety goggles, disposable nitrile or butyl gloves, laboratory coat
Respiratory Protection: Dust mask or respirator required for large-scale handling or powder manipulation
Hand Protection: Single-use gloves, check for chemical compatibility
Eye Protection: Tight-fitting safety goggles or face shield
Skin and Body Protection: Wear long sleeves, long pants, closed shoes, supplemental barrier protection for extensive work

Physical and Chemical Properties

Appearance: Off-white to pale yellow powder or crystalline solid
Odor: No significant odor detected
Boiling Point: Not available, decomposition possible before boiling
Melting Point: Specific temperature not available, consistent with related coumarin derivatives often near 200–300°C
Solubility: Soluble in organic solvents (chloroform, DMSO, methanol), low solubility in water
Vapor Pressure: Not measured
Relative Density: Not determined
Flash Point: Not established
pH (solution): Not applicable in solid state, varies in solution
Partition Coefficient: Predicted hydrophobic, estimated logP greater than 3
Decomposition Temperature: May decompose under high heat, monitor during handling

Stability and Reactivity

Chemical Stability: Stable under recommended storage and handling conditions
Reactive Incompatibilities: Avoid contact with strong acids, bases, and oxidizers
Decomposition Products: Carbon monoxide, carbon dioxide, hydrogen bromide, aromatic hydrocarbons on extensive heating
Polymerization: No hazardous polymerization expected
Thermal Degradation: Produces irritating fumes, follow lab fire protocols

Toxicological Information

Acute Toxicity: No specific data for this compound, similar coumarin derivatives show range of mild to moderate toxicity
Routes of Exposure: Skin, eye, inhalation, ingestion
Effects on Health: May produce irritation to exposed tissues, possible gastrointestinal disturbance
Sensitization: Data unavailable, chemical group may present risk after repeat exposure
Chronic Effects: Long-term effects unknown, insufficient animal or epidemiological data
Mutagenicity: Not tested, research use only
Reproductive Toxicity: No evaluation conducted, avoid exposure for pregnant individuals

Ecological Information

Environmental Fate: Not extensively studied, likely low water solubility leads to sediment association
Aquatic Toxicity: No measured data, coumarin core may show mild toxicity to aquatic organisms
Persistence and Degradability: Chemical structure suggests resistance to rapid environmental breakdown
Bioaccumulation: Potential due to aromatic and hydrophobic character
Mobility in Soil: Limited mobility expected, local contamination possible
Precautions: Avoid uncontrolled discharge into waterways or soil

Disposal Considerations

Waste Treatment: Dispose via licensed waste disposal contractor following local regulations
Disposal Containers: Use labeled, compatible chemical waste containers
Prohibited Disposal: Do not release to sewers, surface water, or regular trash
Contaminated Materials: Dispose of gloves, towels, or other absorbents as chemical waste
Regulatory Compliance: Follow national and local hazardous waste procedures, document all disposal

Transport Information

UN Number: Not assigned due to lack of widespread commercial distribution
UN Shipping Name: Not regulated for small laboratory quantities
Hazard Class: Not classified for transportation, treat as laboratory chemical
Packing Group: Not established
Transport Precautions: Secure packaging, avoid breakage, minimize movement, provide chemical labeling
Emergency Transport Procedures: Use spill containment materials, alert emergency responders if released

Regulatory Information

Inventory Listings: Not listed in US TSCA, EU REACH, or other global inventories
OSHA Status: Not specifically regulated, handle according to OSHA laboratory safety standards
Labeling Requirements: Label all containers clearly with chemical name, hazard warning, date
EPA Status: Not subject to specific reporting, general environmental laws apply to disposal
Additional Requirements: Institutional chemical hygiene plan and local occupational regulations govern usage
Worker Training: Ensure thorough chemical safety training and record-keeping for users
Document Revision: Review all safety data regularly and update as new information becomes available