Material Safety Data Sheet (MSDS): Lithium Difluoro(oxalato)borate (LiODFB)

1. Identification

Product Name: Lithium Difluoro(oxalato)borate
Chemical Formula: LiBF2C2O4
Other Names: LiODFB, Lithium bis(oxalato)difluoroborate
Synonyms: Lithium oxalatodifluoroborate
Uses: Electrolyte additive in lithium-ion batteries, chemical synthesis
Manufacturer: For battery materials operations and hazard response, reach technical support, trained professionals familiar in chemical handling
Emergency Phone Number: As supplied by manufacturer or workplace chemical supervisor
Recommended Use Restrictions: Industrial and laboratory applications; not for food, drug, or household use
Contact Information: Address and phone supplied per facility or supplier record

2. Hazard Identification

Classification: Eye irritation (Category 2A), Skin sensitizer (Category 1), Specific Target Organ Toxicity - Single Exposure; Harmful if swallowed
GHS Label elements: Corrosion and exclamation mark pictograms
Signal Word: Warning
Hazard Statements: Harmful if inhaled or swallowed; causes skin and eye irritation; sensitization through prolonged or repeated skin contact lies within anticipated risk
Precautionary Statements: Avoid dust generation; do not breath dust, avoid contact with skin and eyes, wash thoroughly after handling, wear suitable personal protective equipment
Emergency Overview: White to off-white crystalline powder, mild chemical odor, causes irritation to eyes, skin, and respiratory tract; severe cases may provoke skin sensitization or organ effects
Potential Health Effects: Irritation of eyes, skin, respiratory tract, risk of chemical burns if not handled with gloves and splash protection, oral exposure risks to kidneys, central nervous system

3. Composition / Information on Ingredients

Main Component: Lithium Difluoro(oxalato)borate
Chemical Formula: LiBF2C2O4
CAS Number: 40960-52-3
Concentration: ≥98%, trace moisture, no intentional admixtures
Impurities: Traces of lithium oxalate, oxalic acid possible due to manufacturing variances
Hazardous Ingredients: No components present at levels requiring disclosure above reporting threshold, except for active substance itself

4. First Aid Measures

Inhalation: Move victim to fresh air, monitor breathing, provide oxygen if respiratory distress occurs, seek medical help for persistent symptoms
Skin Contact: Remove contaminated clothing, rinse skin immediately using soap and water for at least 15 minutes, medical assessment for rash or prolonged irritation
Eye Contact: Rinse with lukewarm gentle stream of water for minimum 15 minutes, lifting eyelids, seek ophthalmologic care for persistent pain or redness
Ingestion: Rinse mouth, do not induce vomiting, seek medical attention promptly, symptomatic care based on ingestion quantity
Most Important Acute/Delayed Symptoms: Skin rash, eye redness, respiratory distress, headache, vomiting risk with ingestion, no specific antidote
Special Notes for Physicians: Treat supportively, monitor renal and neurological function in significant exposures

5. Fire-Fighting Measures

Suitable Extinguishing Media: Carbon dioxide, dry chemical powder, foam (avoid high-pressure water which can spread or react with lithium compounds)
Unsuitable Extinguishing Media: Direct water jet on powder or molten spills
Specific Hazards: Decomposition generates toxic fumes (including HF, boron oxides, carbon oxides, lithium oxide)
Special Protective Equipment: Firefighters need self-contained breathing apparatus, chemical anti-flame suit, gloves, and boots
Hazardous Combustion Products: Hydrogen fluoride, boron trifluoride, carbon monoxide, carbon dioxide, lithium fluoride, oxalates
Firefighting Instructions: Cool exposed containers with water spray from a safe distance, control run-off, isolate surroundings

6. Accidental Release Measures

Personal Precautions: Evacuate area, ventilate thoroughly, avoid inhalation or contact, use dust mask or respirator, protective gloves, goggles, chemical suit
Environmental Precautions: Prevent entry into soil, drains, sewers, water bodies, block further spread with sand or inert absorbent
Clean Up Methods: Collect powder with non-sparking tools, use anti-static equipment, place into airtight, labeled containers for disposal; avoid creating dust clouds, ventilate area, wash spill site after complete cleanup

7. Handling and Storage

Safe Handling: Work in chemical fume hood, avoid inhalation and contact, use proper gloves, goggles, protective clothing, minimize exposure time, do not eat, drink, or smoke during use
Engineering Controls: Enclosures, fume hoods, dust collection ventilation
Storage Conditions: Store in tightly sealed, corrosion-resistant containers, keep in cool, dry, well-ventilated space, away from acids, oxidizers, moisture sources; temperature between 15-25 °C
Incompatible Materials: Strong acids, oxidizers, water sources; reacts vigorously with moisture

8. Exposure Controls and Personal Protection

Occupational Exposure Limits: No established ACGIH/TLV, OSHA or other regulatory limits, but dust exposure must stay low
Engineering Controls: Local exhaust ventilation, process enclosures; facility air monitoring
Personal Protection: Nitrile/neoprene gloves, chemical splash goggles, long sleeves, lab coat or chemical suit, dust/particulate respirator (P100/FFP3), dedicated shoes
Hygiene Measures: Wash hands before breaks and after handling, keep work clothes separate, do not reuse contaminated clothing without wash; eye wash showers available

9. Physical and Chemical Properties

Appearance: White to off-white crystalline powder
Odor: Faint, slightly pungent chemical scent
Odor threshold: Not established
Molecular Weight: ~181.8 g/mol
Melting Point/Freezing Point: 234-237°C (decomposes before boiling)
Boiling Point: Not applicable (decomposes)
Flash Point: Not flammable in powder form, decomposition starts near 240°C
Solubility: Soluble in polar solvents (ethylene carbonate, propylene carbonate, organic carbonates); reacts with water
Vapor Pressure: Negligible at room temperature
Density: 1.70–1.90 g/cm³
pH: Not measurable in water due to hydrolysis
Partition Coefficient (n-octanol/water): Not relevant; compound hydrolyzes in water
Decomposition Temperature: ~240°C
Evaporation Rate: Not relevant (solid at ambient temperature)

10. Stability and Reactivity

Chemical Stability: Stable in sealed, dry containers under normal temperature conditions; hydrolyzes under moisture exposure
Conditions to Avoid: Contact with water, humid air, temperatures above 200°C
Incompatible Materials: Water, acids, oxidizing substances, strong reducing agents, metal halides
Decomposition Products: Hydrogen fluoride, carbon oxides, boron compounds, lithium oxide, oxalates
Reactivity: Reacts exothermically with acids and water

11. Toxicological Information

Acute Toxicity: Oral LD50 (rat): >300–2000 mg/kg (category 4, harmful if ingested), inhalation LC50 not well defined but dust causes respiratory irritation
Skin Corrosion/Irritation: Causes irritation, risk of sensitization on repeated/prolonged contact
Eye Damage/Irritation: Severe irritation, risk of conjunctival redness, blurred vision for untreated exposure
Respiratory or Skin Sensitization: Positive sensitization possible in sensitive individuals—eczema, rash, or itching
Chronic Effects: Repeated exposure can provoke respiratory allergy or kidney changes
Mutagenicity/Carcinogenicity/Reproductive Toxicity: Not classified as mutagenic or carcinogenic; limited data on reproductive/developmental impact, precaution for pregnant users
Target Organs: Eyes, skin, respiratory system, possible kidney hazard after systemic exposure
Symptoms of Exposure: Redness, rash, breathing distress, headache, nausea when ingested or inhaled in large quantities

12. Ecological Information

Ecotoxicity: Data limited; soluble boron and fluoride can harm aquatic and soil organisms in significant releases
Persistence and Degradability: Not biodegradable, breaks down under hydrolysis to oxalate, borate, lithium, fluoride ions
Mobility: Highly soluble in polar solvents; hydrolyzes in water to mobile inorganic ions
Bioaccumulation Potential: Very low—ions distribute, do not persist in food chain
Other Adverse Effects: Fluoride and boron emissions into soil/water can disrupt plant growth and aquatic life

13. Disposal Considerations

Waste Disposal Methods: Treat as hazardous chemical waste; collect in sealed, labeled containers; incinerate in chemical incinerator with afterburner and scrubber for acid gases
Contaminated Containers: Triple rinse, puncture, follow professional disposal procedure
Disposal of Spills: Minimize dust, use only specifically trained personnel
Precautions: Do not discharge to drains or environment, follow local, regional, national hazardous waste regulations

14. Transport Information

UN Number: UN 3077
UN Proper Shipping Name: Environmentally hazardous substance, solid, n.o.s. (lithium difluoro(oxalato)borate)
Transport Hazard Class: 9 (Miscellaneous dangerous substances and articles)
Packing Group: III
Environmental Hazards: Yes—marine pollutant
Special Precautions for User: Prevent container breakage, keep dry, mark with hazardous labels during domestic/international transit
Regulatory Notes: Follow DOT, IATA, IMDG regulations

15. Regulatory Information

U.S. Regulations: Not specifically listed under TSCA as of publisher's data, not subject to SARA Title III, Section 313; always confirm current status
EU Regulations: Not REACH-registered as of latest data; workplace exposure regulation applies to boron and fluoride compounds
Labelling: Label with current GHS/CLP pictograms, hazard, and precaution statements
Other Local Regulations: Refer to country-specific chemical safety and environmental protection law
Workplace Safety: Standard precautions for chemical dust, formal hazard communication training required
International Inventories: Product ingredients subject to regional registration, consult supply chain documentation before use