Material Safety Data Sheet: 6-Carboxyhexyltriphenylphosphonium Bromide

Identification

Product Name: 6-Carboxyhexyltriphenylphosphonium Bromide
Chemical Formula: C25H28BrO2P
Synonyms: 6-(Triphenylphosphonio)hexanoic acid bromide
CAS Number: 60020-98-8
Recommended Uses: Laboratory research, chemical synthesis
Supplier Details: Name, address, and phone number of distributor or manufacturer
Emergency Contact: Emergency phone number available 24 hours

Hazard Identification

GHS Classification: Acute toxicity, Eye irritation, Skin irritation
Label Elements: Danger, hazard pictograms for acute oral toxicity, exclamation mark; signal word "Warning"
Hazard Statements: Harmful if swallowed, may cause respiratory irritation, causes skin and eye irritation
Precautionary Statements: Avoid breathing dust, wash hands thoroughly after handling, wear protective gloves and eye protection
Other Hazards: Not flammable but can emit toxic fumes upon decomposition

Composition / Information on Ingredients

Chemical Name: 6-Carboxyhexyltriphenylphosphonium Bromide
Concentration: ≥98%
CAS Number: 60020-98-8
Impurities: Trace amounts of starting materials or solvents from synthesis
Additional Information: Product contains no known stabilizers, additives, or hazardous diluents

First Aid Measures

Inhalation: Move affected person to fresh air immediately, monitor breathing, seek medical attention if symptoms persist
Skin Contact: Remove contaminated clothing, rinse skin with plenty of water, wash thoroughly with soap, consult a physician if irritation develops
Eye Contact: Immediately flush eyes with water for at least 15 minutes, keep eyelids open to ensure thorough rinsing, seek medical attention
Ingestion: Rinse mouth, give water to dilute, do not induce vomiting, seek medical attention
Most Important Symptoms: Irritation of skin, respiratory tract, eyes, may cause mild gastrointestinal discomfort if ingested

Fire-Fighting Measures

Suitable Extinguishing Media: Dry chemical, carbon dioxide, alcohol-resistant foam
Unsuitable Extinguishing Media: Water streams may spread powder or cause splashing
Special Hazards: Emits toxic fumes of carbon oxides, phosphorous oxides, and hydrogen bromide in fire
Protective Equipment: Full protective clothing, self-contained breathing apparatus
Advice for Firefighters: Avoid inhaling smoke or combustion products, use water spray to cool unopened containers nearby

Accidental Release Measures

Personal Precautions: Wear protective gloves, eye protection, lab coat, avoid contact with skin, provide adequate ventilation
Environmental Precautions: Prevent spillage from entering drains, sewers, or waterways; contain with inert absorbent material
Methods for Cleanup: Sweep up and place in sealed, labeled container for disposal; clean surfaces with soapy water
Disposal: Waste material should be delivered to licensed chemical disposal firm, avoid creating dust, ventilate area after cleanup

Handling and Storage

Safe Handling: Use in a fume hood or well-ventilated area, do not eat or drink near material, wash hands after handling
Storage Conditions: Store in cool, dry place away from light, oxidizers, and incompatible materials
Container Type: Keep only in original, tightly sealed container, label clearly
Incompatible Materials: Strong oxidizing agents, strong acids, alkalis
Specific End Uses: Reserved for laboratory and research purposes, not for drug, food, or household use

Exposure Controls and Personal Protection

Exposure Limits: No established occupational exposure limits for this compound
Engineering Controls: Mechanical exhaust or local ventilation to reduce dust accumulation, safety shower and eye-wash nearby
Personal Protective Equipment: Protective gloves—nitrile or neoprene, safety goggles or face shield, lab coat, appropriate respirator if dust is generated
Hygiene Measures: Wash hands, face, and exposed skin after use; remove contaminated clothing and wash before reuse
Environmental Exposure Controls: Prevent spills or accidental discharge into drainage systems using containment strategies

Physical and Chemical Properties

Appearance: White to off-white crystalline powder
Odor: Odorless or faint aromatic scent
Molecular Weight: 471.36 g/mol
Melting Point: 215-225°C (decomposition possible above this range)
Solubility: Soluble in water, ethanol, DMSO
pH: Not determined
Boiling Point: Decomposes before boiling
Vapor Pressure: Negligible
Partition Coefficient: Not available
Flash Point: Not flammable as a solid
Other Properties: Stable under ordinary lab conditions but decomposes on heating, releases irritating or toxic gases during thermal decomposition

Stability and Reactivity

Chemical Stability: Stable under recommended storage conditions
Reactivity: No hazardous reactions under normal temperature and pressure
Conditions to Avoid: Excessive heat, moisture, direct sunlight
Materials to Avoid: Strong oxidizers, strong acids or bases
Hazardous Decomposition Products: Carbon monoxide, carbon dioxide, phosphorus oxides, hydrogen bromide upon combustion or decomposition
Polymerization: Does not occur

Toxicological Information

Potential Routes of Exposure: Skin contact, eye contact, inhalation, ingestion
Acute Toxicity: Data on specific LD50 not available, structurally related phosphonium compounds show moderate acute toxicity
Skin and Eye Effects: Causes irritation, possible redness or swelling
Respiratory Effects: May cause coughing, mild irritation if dust or powder is inhaled
Ingestion Effects: May lead to abdominal discomfort, nausea, symptoms of mild toxicity in large quantities
Chronic Effects: No data on repeated-exposure or long-term effects
Carcinogenicity: Not listed with IARC, NTP, or OSHA as carcinogenic
Other Information: No evidence for sensitization, organ-specific toxicity not documented

Ecological Information

Aquatic Toxicity: Insufficient data for specific LC50 or EC50, expected to be harmful to aquatic microorganisms based on cationic and bromide content
Persistence and Degradability: Compound may persist in natural environments, limited biodegradability expected
Bioaccumulation: Potential for bioaccumulation in aquatic organisms remains unknown
Mobility in Soil: Moderate mobility possible due to water solubility
Other Adverse Effects: Avoid release into environment or sewers, hazardous to aquatic systems in large volumes

Disposal Considerations

Product Disposal: Dispose as hazardous laboratory chemical waste in accordance with national and local regulations
Container Disposal: Decontaminate and recycle or dispose of as hazardous waste
Special Precautions: Do not release waste into general trash or drains
Recommendations: Seek approval from licensed waste disposal contractor, follow university or institutional policy for chemical disposal

Transport Information

UN Number: Not classified as a dangerous good under UN transport regulations
UN Proper Shipping Name: N/A
Transport Hazard Class: Not regulated
Packing Group: N/A
Environmental Hazards: Not a marine pollutant
Transport Precautions: Prevent package from being damaged or disturbed, keep away from incompatible materials

Regulatory Information

US Regulations: Not subject to reporting under SARA Title III, Sections 302, 304, or 313
TSCA: Listed or subject to exemption
EPA: Not regulated as hazardous waste
EU Regulations: Not classified according to Regulation (EC) No 1272/2008 (CLP) for bulk quantities, but use precautions given compound's structure
Labelling Requirements: User must comply with local regulations regarding chemical handling, employees should receive training on safe handling and emergency procedures
Other Requirements: Refer to workplace guidelines, hospital procedures, and institutional protocols for additional regulatory and training needs