Lithium TantalateCAS #: 12031-66-2

Synonyms

 Tantalum lithium oxide; Lithium tantalate(V); Lithium tantalum oxide; lithium oxido(dioxo)tantalum; lithium tantalum trioxide

Compound Formula: LiO3Ta 

Molecular Weight: 235.89 

Appearance: Crystalline solid 

Melting Point: 1650 °C 

Boiling Point: N/A 

Density: 7.46 g/cm3 

Solubility in H2O: N/A 

Exact Mass: 235.948744 

Monoisotopic Mass: 235.948744

Product Introduction: Sodium Bis(trifluoromethanesulfonyl)imide (NaTFSI, CAS #: 12031-66-2)

Sodium bis(trifluoromethanesulfonyl)imide, with the chemical formula NaN(SO₂CF₃)₂ and CAS number 12031-66-2, is a high-performance sodium salt that has become a game-changer in the realm of sodium-based energy storage and beyond. This white crystalline substance, composed of sodium cations (Na⁺) and bis(trifluoromethanesulfonyl)imide anions (TFSI⁻), stands out for its remarkable stability, excellent ionic conductivity, and wide-ranging compatibility, making it an indispensable material in various advanced technological applications.

Vital Chemical and Physical Characteristics

The outstanding performance of NaTFSI is rooted in its key properties:

Solubility: It shows excellent solubility in a variety of polar organic solvents, such as ethylene carbonate, dimethyl carbonate, and propylene carbonate, as well as in ionic liquids. This allows for the creation of diverse electrolyte formulations, from regular concentrations to high-concentration ones, meeting the specific needs of different sodium-based energy storage systems.

Ionic Conductivity: With ionic conductivity reaching up to 7 mS/cm in properly adjusted solvent mixtures, NaTFSI ensures efficient transport of sodium ions, which is crucial for enabling quick charge and discharge cycles in batteries and supercapacitors.

Thermal Stability: It can remain stable at temperatures up to 270°C, which is significantly higher than that of traditional sodium salts like NaPF₆ (only up to 180°C). This high thermal stability greatly reduces the risk of electrolyte breakdown in high-temperature working conditions.

Electrochemical Stability: Boasting a wide electrochemical stability window of up to 5.0 V vs. Na⁺/Na, it is compatible with a wide range of high-voltage sodium-ion battery cathodes, including Prussian blue analogs, NaNi₀.₅Mn₀.₅O₂, and Na₃V₂(PO₄)₃, as well as hard carbon anodes.

Resistance to Hydrolysis: Compared to NaPF₆, NaTFSI exhibits much lower susceptibility to hydrolysis, even when exposed to trace amounts of moisture. This significantly reduces the formation of corrosive hydrofluoric acid (HF), thus protecting the electrode materials from damage.

Diverse Application Scenarios

NaTFSI finds applications in various fields due to its excellent properties:

Large-Scale Energy Storage Systems: In grid-scale sodium-ion batteries, NaTFSI serves as a key electrolyte component. Its stability ensures that the batteries can operate for more than 3,000 cycles with minimal capacity loss, making sodium-ion batteries a cost-effective alternative to lithium-ion batteries in large-scale energy storage.

Portable Electronic Devices: For sodium-ion batteries used in portable electronics, the high ionic conductivity of NaTFSI enables fast charging, meeting the demand for quick power replenishment in these devices.

Electric Vehicles: Although sodium-ion batteries are not yet widely used in electric vehicles, NaTFSI's excellent performance lays the foundation for their potential application. Its high stability and safety can address some of the key concerns of electric vehicle batteries.

Renewable Energy Integration: When paired with renewable energy sources such as solar and wind, sodium-ion batteries containing NaTFSI can efficiently store the generated energy, smoothing out the fluctuations in renewable energy output.

Comparison with Similar Products

When compared to other sodium salts like NaPF₆ and NaBF₄, NaTFSI has clear advantages:

Longer Lifespan: The superior stability of NaTFSI leads to longer battery lifespans, reducing the frequency of battery replacement and lowering the overall cost.

Better Safety: The reduced formation of HF and higher thermal stability make batteries using NaTFSI safer, minimizing the risk of fire and explosion.

Wider Compatibility: It is compatible with a broader range of electrode materials, providing more flexibility in battery design and development.

Higher Performance: The high ionic conductivity allows for faster charge and discharge rates, improving the overall performance of the batteries.

Production Process and Quality Control

The production of NaTFSI involves several key steps to ensure its high quality:

Precursor Preparation: Trifluoromethanesulfonamide (CF₃SO₂NH₂) reacts with trifluoromethanesulfonyl chloride (CF₃SO₂Cl) in the presence of a base (e.g., triethylamine) to form bis(trifluoromethanesulfonyl)imide (HTFSI).

Sodium Ion Introduction: HTFSI is neutralized with sodium hydroxide (NaOH) or sodium carbonate (Na₂CO₃) in anhydrous organic solvents (such as acetonitrile), followed by crystallization to obtain NaTFSI.

Purification: The crude product undergoes recrystallization from anhydrous solvents and vacuum drying to remove impurities, ensuring that the purity of NaTFSI reaches 99.9% or higher.

Quality control measures include:

Ion chromatography to check the purity of the anion.

Inductively coupled plasma mass spectrometry to detect trace metals, ensuring that their content is ≤10 ppm.

Karl Fischer titration to control the moisture content, which is kept ≤10 ppm to guarantee the performance of the product in batteries.

Safety Precautions for Handling

To ensure safe handling of NaTFSI, the following precautions should be taken:

Storage: Keep NaTFSI in moisture-proof containers filled with inert gas (such as nitrogen or argon) to prevent it from absorbing moisture. Store it in a cool, dry, and well-ventilated place, away from heat sources.

Personal Protective Equipment: When handling NaTFSI, wear chemical-resistant gloves (nitrile or PTFE), goggles, and a lab coat to avoid contact with the skin, eyes, and inhalation of dust.

Reactivity Issues: NaTFSI is incompatible with strong reducing agents and combustible materials. Avoid contact with these substances to prevent potential oxidation reactions.

Waste Disposal: Dispose of waste NaTFSI in accordance with local regulations for fluorinated and sulfonated compounds. Use inert absorbents to neutralize spills and dispose of them as hazardous waste.

For detailed emergency response procedures, refer to the product's Safety Data Sheet (SDS).

Packaging and Availability

NaTFSI is available in various packaging options to meet different needs:

Anhydrous Powder: Packaged in moisture-proof aluminum bags ranging from 100g to 10kg, with inert gas purging. For industrial-scale production, 50kg+ drums are available.

Pre-Made Solutions: Solutions with concentrations of 5–20% w/w in organic solvent blends (e.g., EC/DMC) or ionic liquids are available, packaged in 1L–50L containers for convenient use in electrolyte formulation.

Customized purities (including ultra-low metal content grades) and particle sizes can be provided upon request.

For technical specifications, pricing information, or to request samples, please contact our professional team specializing in advanced electrolytes for sodium-based energy storage.

Health & Safety Information 

Signal Word: Warning 

Hazard Statements: H302-H312-H332 

Hazard Codes: Xn 

Risk Codes: 20/21/22 

Safety Statements: 36 

RTECS Number: WW5470000 

Transport Information: N/A 

WGK Germany: 3

Chemical Identifiers 

Linear Formula: LiTaO3 

Pubchem CID: 5148101 

MDL Number: MFCD00016174 

EC No.: 234-757-5 

IUPAC Name: lithium; oxido(dioxo)tantalum 

Beilstein/Reaxys No.: N/A 

SMILES: [Li+].[O-][Ta](=O)=O 

InchI Identifier: InChI=1S/Li.3O.Ta/q+1;;;-1; 

InchI Key: CIFJATMCNLSYQG-UHFFFAOYSA-N

Packing of Standard Packing: 

Typical bulk packaging includes palletized plastic 5 gallon/25 kg. pails, fiber and steel drums to 1 ton super sacks in full container (FCL) or truck load (T/L) quantities. Research and sample quantities and hygroscopic, oxidizing or other air sensitive materials may be packaged under argon or vacuum. Solutions are packaged in polypropylene, plastic or glass jars up to palletized 735 gallon liquid totes Special package is available on request.