Material Safety Data Sheet (MSDS) for 1-Bromo-6-(Trimethylammonium)Hexyl Bromide

Identification

Product Name: 1-Bromo-6-(Trimethylammonium)Hexyl Bromide
Chemical Formula: C9H21Br2N
Synonyms: 6-Bromohexyl trimethylammonium bromide
Recommended Uses: Intermediate in organic synthesis, chemical research, laboratory reagent
Manufacturer: [Enter manufacturing company and contact info]
Emergency Contact: [24-hour emergency number, as supplied by vendor or in-house safety office]
CAS Number: 21185-00-4
Product Code: [As per supplier]
Email Address: [Laboratory or company safety contact]

Hazard Identification

GHS Classification: Acute toxicity, Oral Category 3; Skin irritation Category 2; Eye irritation Category 2A
Hazard Statements: May cause severe irritation to skin and eyes; harmful if swallowed or inhaled; suspected of causing long-term health effects with repeated exposure
Signal Word: Danger
Pictograms: Corrosive, exclamation mark, health hazard
Precautionary Statements: Avoid breathing dust, vapors, or mist; use only outdoors or in well-ventilated areas; wash hands thoroughly after handling; wear protective gloves, protective clothing, and eye protection

Composition / Information on Ingredients

Chemical Name: 1-Bromo-6-(Trimethylammonium)Hexyl Bromide
CAS Number: 21185-00-4
Concentration: ≥98%
Impurities: May contain trace amounts of related brominated amines, water, and organic solvents (<2%)
Molecular Weight: 319.09 g/mol

First Aid Measures

Inhalation: Move affected person to fresh air immediately; seek medical attention if symptoms develop, such as coughing, difficulty breathing, or dizziness
Skin Contact: Remove contaminated clothing and shoes; wash exposed area with water and non-abrasive soap for at least 15 minutes; seek medical attention if irritation persists
Eye Contact: Flush with water for at least 15 minutes, lifting eyelids intermittently; remove contact lenses if present and easy to do; seek immediate medical attention
Ingestion: Rinse mouth with water; do not induce vomiting; seek medical help at once; show product container or MSDS, if available
Most Important Symptoms/Effects: Burning sensation, irritation of skin and eyes, respiratory distress, stomach discomfort or nausea

Fire-Fighting Measures

Suitable Extinguishing Media: Carbon dioxide, dry chemical powder, alcohol-resistant foam; water spray may be used to cool fire-exposed containers
Hazards from Combustion: Produces toxic bromide vapors, nitrogen oxides, hydrogen bromide, carbon monoxide, and carbon dioxide
Precautions for Firefighters: Firefighting personnel should wear self-contained breathing apparatus and chemical resistant full protective suit; keep containers cool with water spray; evacuate area and prevent runoff from entering drains
Specific Fire Hazards: Combustion may yield highly toxic gas and corrosive fumes; brominated organic vapors are heavier than air

Accidental Release Measures

Personal Precautions: Evacuate unprotected personnel; ventilate area; avoid breathing vapor, mist, or dust; keep away from ignition sources
Protective Equipment: Chemical-resistant gloves, safety goggles, NIOSH-approved respirator, impermeable apron, closed-toe shoes
Environmental Precautions: Prevent spill from entering sewers, storm drains, or water sources; report contamination to appropriate authorities
Containment and Cleanup: Absorb spill with inert material such as sand or vermiculite; sweep or shovel up material and place in suitable, labeled waste container; clean contaminated area thoroughly; avoid dust formation

Handling and Storage

Safe Handling: Open containers cautiously; ensure adequate ventilation or use local exhaust; avoid skin and eye contact; prevent buildup of electrostatic charge
Storage Conditions: Store in a dry, well-ventilated area; keep in a tightly closed original container; avoid exposure to heat, sunlight, and moisture; segregate from reactive and incompatible materials, especially strong oxidizers or acids
Special Requirements: Post warning signs in storage and handling areas; restrict access to trained personnel only

Exposure Controls and Personal Protection

Control Parameters: No specific occupational exposure limits set by OSHA, NIOSH, or ACGIH; keep airborne dust and vapor concentrations below nuisance levels
Engineering Controls: Use fume hood or local exhaust ventilation for laboratory procedures; provide eyewash and safety shower stations nearby
Personal Protection: Nitrile or butyl rubber gloves, chemical splash goggles, lab coat or chemical-resistant coveralls, fitted particulate/dust mask or full-face respirator if aerosol formation risk exists
Hygiene Measures: Wash hands before breaks, after handling, and at end of workday; remove and clean contaminated clothing and equipment

Physical and Chemical Properties

Appearance: White to off-white crystalline solid or powder
Odor: Faint amine or bromine odor
Melting Point: 245-250°C
Boiling Point: Decomposes before boiling
Solubility in Water: Soluble
Solubility in Other Solvents: Slightly soluble in polar organic solvents
pH: Not applicable (aqueous solution is slightly acidic to neutral)
Vapor Pressure: Negligible at room temperature
Vapor Density: Not determined
Density: Approx. 1.9 g/cm³
Flash Point: Not flammable under typical laboratory conditions
Evaporation Rate: Not applicable
Partition Coefficient (Log Kow): Not available
Auto-ignition Temperature: Not determined
Decomposition Temperature: >250°C

Stability and Reactivity

Chemical Stability: Stable under ambient temperature and dry storage conditions
Conditions to Avoid: Exposure to high heat, open flames, sunlight, and moisture
Incompatible Materials: Strong oxidizers, concentrated acids, strong bases, reducing agents, or alkali metals
Hazardous Decomposition: Bromide fumes, hydrogen bromide, trimethylamine, nitrogen oxides may evolve under fire or overheating
Reactivity: Product is quaternary ammonium salt; may alkylate nucleophilic compounds or undergo elimination reactions

Toxicological Information

Likely Routes of Exposure: Inhalation, skin contact, eye contact, ingestion
Acute Toxicity: Oral LD50 (rat, estimated): 50–500 mg/kg
Skin Irritation: Causes erythema, itchiness, and pain on prolonged or repeated contact
Eye Damage: Severe irritant; may cause temporary or permanent damage with direct exposure
Respiratory Effects: Inhalation of dust or vapor leads to coughing, throat pain, shortness of breath
Chronic Effects: Prolonged exposure could affect nervous system due to bromide ion accumulation; potential reproductive harm not ruled out
Carcinogenicity: Not classified by IARC, NTP, or OSHA as carcinogen
Mutagenicity/Teratogenicity: Insufficient data; handle as potential mutagen

Ecological Information

Ecotoxicity: Toxic to aquatic organisms at low concentrations; may inhibit growth in fish and invertebrates
Persistence and Degradability: Poorly biodegradable in the environment; brominated organic compounds tend to persist
Bioaccumulative Potential: May accumulate in aquatic organisms; insufficient data for bioconcentration factor
Mobility: Soluble in water; risk of leaching into groundwater; forms dissociated ions in aquatic environments
Other Adverse Effects: Discharge into waterways could contribute to long-term toxicity and changes in ecosystem structure

Disposal Considerations

Waste Treatment Methods: Treat as hazardous chemical waste; use licensed waste disposal contractor
Contaminated Packaging: Dispose of as hazardous waste; do not reuse containers
Special Precautions: Neutralize residues if appropriate and possible; store for disposal in tightly closed, labeled containers away from incompatible substances
Regulatory Requirements: Follow local, national, and international hazardous waste regulations for disposal
Do Not: Discharge into sewer systems, surface water, or soil

Transport Information

UN Number: UN3261
Proper Shipping Name: Corrosive Solid, Acidic, Organic, N.O.S. (contains 1-Bromo-6-(Trimethylammonium)Hexyl Bromide)
Transport Hazard Class: 8 (Corrosive substances)
Packing Group: II
Marine Pollutant: Yes; avoid shipment in bulk by sea
Environmental Hazards: Toxic to aquatic environment; avoid spills during loading/unloading
Transport Precautions: Package in corrosion-resistant, sealed containers; label with hazard symbols; employee protective regulations apply
Special Transport Notes: Check with all carriers for regulations; documentation must include technical name

Regulatory Information

TSCA Inventory: Not listed on US Toxic Substances Control Act inventory
EPA Status: Possibly regulated as toxic or hazardous under specific circumstances
REACH Registration: Not registered in EU under REACH
OSHA Classification: Hazardous chemical in workplaces
WHMIS: Classified as D2B (Toxic) and E (Corrosive Material) in Canada
SARA Title III: Not reportable under Section 313; always confirm with supplier or agency
Labeling Requirements: GHS-compliant pictograms, product identifiers, hazard statements, and precautionary measures
Other Applicable Regulations: Restrictions on release to environment may vary by country; consult national chemical safety guidance