Product Code : ELi-A323-CU-CU
CAS #: 12031-66-2
Linear Formula: LiTaO3
MDL Number: MFCD00016174
EC No.: 234-757-5
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Synonyms
Lithium tantalate(V); lithium tantalum oxide; lithium oxido(dioxo)tantalum; lithium tantalum trioxide
Compound Formula: LiO3Ta
Molecular Weight: 235.89
Appearance: solid
Melting Point: N/A
Boiling Point: N/A
Density: N/A
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 (NaTFSI), identified by CAS number 12031-66-2 and chemical formula NaN(SO₂CF₃)₂, is a cutting-edge sodium salt revolutionizing the field of sodium-based energy storage. This white, crystalline compound pairs a sodium cation (Na⁺) with a bis(trifluoromethanesulfonyl)imide anion (TFSI⁻), delivering a unique blend of stability, conductivity, and compatibility that addresses critical challenges in sodium-ion battery (SIB) technology. As a high-performance electrolyte component, it enables safer, longer-lasting, and more efficient energy storage systems, particularly in large-scale applications like grid storage and renewable energy integration.
Core Chemical & Physical Attributes
NaTFSI’s exceptional performance stems from its key properties:
Solubility Profile: Exhibits high solubility in polar organic solvents (ethylene carbonate, dimethyl carbonate, propylene carbonate) and ionic liquids, supporting versatile electrolyte formulations—from standard concentrations to high-concentration “solvent-in-salt” systems optimized for SIBs.
Ionic Conductivity: Delivers robust ionic conductivity (up to 7 mS/cm in tailored solvent blends), ensuring efficient sodium-ion transport to enable fast charge-discharge cycles in batteries and supercapacitors.
Thermal Resilience: Maintains stability at temperatures up to 270°C, far exceeding the thermal limits of conventional sodium salts like NaPF₆ (180°C), reducing the risk of electrolyte breakdown in high-temperature operating environments.
Electrochemical Compatibility: Boasts a wide stability window (up to 5.0 V vs. Na⁺/Na), making it compatible with high-voltage SIB cathodes such as Prussian blue analogs, NaNi₀.₅Mn₀.₅O₂, and Na₃V₂(PO₄)₃, as well as hard carbon anodes.
Hydrolytic Resistance: Shows minimal hydrolysis compared to NaPF₆, even in the presence of trace moisture, drastically reducing the formation of corrosive hydrofluoric acid (HF) and protecting electrode materials from degradation.
Applications in Sodium-Based Energy Storage
NaTFSI is a cornerstone of next-generation sodium energy storage technologies:
Sodium-Ion Batteries (SIBs): Functions as a primary or co-salt in electrolytes for grid-scale and stationary SIBs, where its stability extends cycle life beyond 3,000 cycles and minimizes capacity fade. This addresses a key barrier to SIB commercialization, enabling low-cost alternatives to lithium-ion batteries.
Sodium-Metal Batteries: Facilitates the development of high-energy-density sodium-metal systems by forming a stable solid electrolyte interphase (SEI) on sodium anodes, suppressing dendrite growth that has historically limited the practicality of metal-based batteries.
Solid-State Sodium Batteries: Integral to polymer and composite solid electrolytes (e.g., PEO-based systems), where its solubility in polymer matrices enhances ionic conductivity, enabling the shift from liquid electrolytes to safer, more durable solid-state designs.
Sodium Supercapacitors: Enhances the performance of sodium-ion supercapacitors by supporting high power density and rapid charge-discharge cycles, making it ideal for applications requiring instant energy delivery, such as regenerative braking systems.
Advantages Over Traditional Sodium Salts
NaTFSI outperforms conventional alternatives like NaPF₆ and NaBF₄ in key areas:
Enhanced Stability: Superior thermal, chemical, and hydrolytic stability reduces electrolyte decomposition, minimizing gas generation and extending battery lifespan—critical for grid storage systems requiring decades of reliable operation.
Performance Boost: Enables higher energy densities by supporting high-voltage cathodes and faster charge rates, narrowing the performance gap between SIBs and lithium-ion batteries in stationary applications.
Material Compatibility: Works seamlessly with diverse electrode materials, from hard carbon anodes to layered oxide and polyanionic cathodes, offering flexibility in battery design and reducing development constraints.
Improved Safety: Lower risk of thermal runaway and reduced HF formation enhance operational safety, making it suitable for large-scale installations and industrial environments.
Synthesis & Quality Assurance
NaTFSI is produced through controlled processes to ensure purity and consistency:
Precursor Synthesis: Trifluoromethanesulfonamide (CF₃SO₂NH₂) reacts with trifluoromethanesulfonyl chloride (CF₃SO₂Cl) in the presence of a base (e.g., triethylamine) to form bis(trifluoromethanesulfonyl)imide (HTFSI).
Sodiation: HTFSI is neutralized with sodium hydroxide (NaOH) or sodium carbonate (Na₂CO₃) in anhydrous organic solvents (e.g., acetonitrile), followed by crystallization to yield NaTFSI.
Purification: Recrystallization from anhydrous solvents and vacuum drying remove impurities, achieving purity levels of 99.9% or higher.
Quality control includes:
Ion chromatography (IC) to verify anion purity.
Inductively coupled plasma mass spectrometry (ICP-MS) to detect trace metals (≤10 ppm).
Karl Fischer titration to ensure moisture content ≤10 ppm, critical for battery performance.
Safety & Handling Guidelines
Proper handling of NaTFSI is essential to maintain performance and safety:
Storage: Seal in moisture-proof containers under inert gas (nitrogen/argon) to prevent hygroscopic absorption. Store in a cool, dry, well-ventilated area away from heat sources.
Personal Protection: Wear chemical-resistant gloves (nitrile or PTFE), goggles, and a lab coat when handling. Avoid skin/eye contact and inhalation of dust.
Reactivity Risks: Incompatible with strong reducing agents and combustible materials; avoid contact to prevent potential oxidation reactions.
Disposal: Adhere to local regulations for fluorinated and sulfonated compounds. Neutralize spills with inert absorbents and dispose of as hazardous waste.
Refer to the product’s Safety Data Sheet (SDS) for detailed emergency protocols.
Packaging & Supply Options
NaTFSI is available in formats tailored to research and industrial needs:
Anhydrous Powder: 100g–10kg moisture-proof aluminum bags with inert gas purging; 50kg+ drums for industrial-scale production.
Pre-Dissolved Solutions: 5–20% w/w in organic solvent blends (e.g., EC/DMC) or ionic liquids, packaged in 1L–50L containers for ready-to-use electrolyte formulation.
Custom purities (including ultra-low metal grades) and particle sizes are available upon request.
For technical data, pricing, or samples, contact our 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: 159405
MDL Number: MFCD00016174
EC No.: 234-757-5
IUPAC Name: lithium; oxygen(2-); tantalum(5+)
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.