Material Safety Data Sheet: 1-Hexyl-3-Butylimidazolium Bromide

Identification

Product Name: 1-Hexyl-3-Butylimidazolium Bromide
Chemical Formula: C13H25BrN2
Synonyms: [HBIM]Br, 1-Hexyl-3-butylimidazolium bromide
CAS Number: 851004-76-7
Supplier Information: Manufacturer or distributor address, phone number, emergency contact available on demand
Intended Use: Chemical research, solvent, electrochemistry, lab reagent

Hazard Identification

Classification: Eye irritation Category 2, Skin irritation Category 2
Hazard Statements: Causes skin and eye irritation, potential to cause respiratory tract irritation
Pictograms: Exclamation mark (GHS07)
Signal Word: Warning
Precautionary Statements: Wash hands after handling, avoid breathing dust/vapors, use protective gear, keep containers tightly closed, use only in a well-ventilated area, dispose of contents/container in accordance with local regulations

Composition / Information on Ingredients

Chemical Name: 1-Hexyl-3-Butylimidazolium Bromide
CAS Number: 851004-76-7
Percent Composition: ≥98%
Impurities: None known beyond trace synthesis byproducts typically less than 1%
Molecular Weight: 305.25 g/mol

First Aid Measures

Eye Contact: Rinse continuously with water, remove contact lenses if safe, seek medical help if irritation persists
Skin Contact: Remove contaminated clothing, wash skin thoroughly with soap and water, seek medical advice for persistent irritation
Inhalation: Move person to fresh air, keep warm and at rest, seek medical attention if respiratory symptoms develop
Ingestion: Rinse mouth with water, do not induce vomiting, seek medical advice immediately; never give anything by mouth to a person who is unconscious

Fire-Fighting Measures

Suitable Extinguishing Media: Use alcohol-resistant foam, dry powder, or carbon dioxide
Specific Hazards: Toxic and irritating fumes may release during combustion (hydrogen bromide, nitrogen oxides, carbon monoxide)
Protective Equipment: Wear self-contained breathing apparatus, chemical-resistant suit, use full protective clothing
Advice for Firefighters: Prevent run-off from entering drains or water courses, ventilate area after fire, keep containers cool with water spray

Accidental Release Measures

Personal Precautions: Use appropriate personal protective equipment, avoid inhalation of dust, ensure adequate ventilation, remove sources of ignition
Environmental Precautions: Prevent further leakage or spillage if safe to do so, do not let product enter drains or reach aquatic environments
Methods for Clean-up: Absorb spillage with inert material (sand, diatomaceous earth), place in chemical waste container, clean area with detergent and water, dispose according to local hazardous waste regulations

Handling and Storage

Safe Handling: Wear protective gloves, clothing, and eye protection, avoid contact with skin, eyes, and clothing, avoid dust formation, use in chemical fume hood, do not eat, drink or smoke while handling, wash hands thoroughly after use
Storage Conditions: Keep container tightly closed, store in a cool, dry, well-ventilated place, protect from light and moisture, separate from incompatible materials (strong oxidizers)
Incompatible Materials: Strong acids, strong oxidizers, strong bases, reducing agents
Storage Temperature: Ambient, recommended to keep below 25°C for long-term stability

Exposure Controls and Personal Protection

Engineering Controls: Handle only in fume hood or with local exhaust ventilation, prevent dust accumulation
Exposure Limits: No specific occupational exposure limits established for this compound
Personal Protection: Safety goggles approved for chemical splashes, lab coat or apron, disposable nitrile or butyl rubber gloves, P2 particle filtering respirator if dust forms
Hygiene Measures: Wash face, hands, and any exposed skin after handling, remove contaminated clothing before eating or entering communal spaces

Physical and Chemical Properties

Appearance: Off-white to pale yellow crystalline solid
Odor: Slight characteristic, not strongly pronounced
Odor Threshold: Not established
pH: Not soluble enough in water for meaningful measurement
Melting Point: 45–55°C
Boiling Point: Decomposes before boiling
Flash Point: >150°C (closed cup)
Evaporation Rate: Not applicable
Flammability: Not classified as highly flammable
Vapor Pressure: Negligible at room temperature
Solubility in Water: Moderate to good
Solubility in Solvents: Soluble in methanol, ethanol, DMSO, acetonitrile
Partition Coefficient: Log Kow not established
Auto-ignition Temperature: Not determined
Decomposition Temperature: >200°C
Viscosity: Not determined

Stability and Reactivity

Chemical Stability: Stable under recommended storage conditions
Reactivity: No dangerous reactions under normal conditions
Possibility of Hazardous Reactions: Strong oxidizers or acids may trigger decomposition, producing hazardous gases
Conditions to Avoid: Incompatible substances, strong heat, UV light, humidity
Hazardous Decomposition Products: Hydrogen bromide, imidazole derivatives, carbon oxides, nitrogen oxides

Toxicological Information

Acute Toxicity: Oral and dermal toxicology not fully assessed for humans, data on imidazolium salts in general suggests mild to moderate toxicity (oral rat LD50 likely >300 mg/kg)
Inhalation: Irritation of mucous membranes possible with dust exposure
Skin Contact: Redness, irritation, sometimes mild allergic response
Eye Contact: Redness, tearing, pain
Chronic Effects: Long term studies limited, imidazolium-based ionic liquids may pose hazards with repeated exposure based on some animal studies
Carcinogenicity: No classification by IARC, ACGIH, NTP, or OSHA
Mutagenicity: Not known to be mutagenic, data insufficient
Specific Target Organ Toxicity: Not classified

Ecological Information

Ecotoxicity: Toxic to aquatic organisms, may cause long-term adverse effects in aquatic environments
Persistence and Degradability: Expected to be persistent under normal environmental conditions, imidazolium salts have shown low biodegradation rates
Bioaccumulation: Potential for bioaccumulation exists; exact data for this compound unavailable
Mobility in Soil: Likely moderate to low mobility considering water solubility
Other Adverse Effects: Avoid release to the environment due to incomplete degradation and potential aquatic toxicity

Disposal Considerations

Waste Treatment Methods: Collect and transfer material to properly labeled container for hazardous waste disposal per local and national regulations
Unused Product: Incineration in licensed facility preferred
Contaminated Packaging: Dispose of as hazardous chemical waste, rinse before discarding only if allowed by jurisdiction
Precautions: Do not discharge into drains, surface water, or ground water; avoid unintentional release into the environment

Transport Information

UN Number: Not classified as a hazardous material for ground or air transport
Proper Shipping Name: Not regulated as dangerous good
Transport Hazard Class: None
Packing Group: None
Environmental Hazards: Harmful to aquatic life if large spills occur
Special Precautions for User: Avoid contact with strong oxidizers, acids, bases during transit, keep container secure and upright, separate from food and feedstuffs

Regulatory Information

SARA Title III: Not listed
TSCA: Not listed; chemical for research use only
REACH: Registration not complete, for research and development use only
DSL/NDSL (Canada): Not listed
Other Regulations: No occupational exposure limits established in OSHA, ACGIH, or NIOSH, not subject to reporting under CERCLA or RCRA
Labeling Requirements: Comply with current GHS/CLP or local hazard communication standards, include hazard, precaution, supplier contact information