Lithium Tantalum EthoxideCAS #: 127503-04-2

Synonyms 

Lithium Tantalum Ethanolate, Lithium tantalum ethoxide, 99.9% (metals basis), 5% w/v in ethanol

Compound Formula: C12H30LiO6Ta 

Molecular Weight: 458.25 

Appearance: Pale yellow liquid 

Melting Point: N/A 

Boiling Point: 78 °C (ethanol) 

Density: N/A 

Solubility in H2O: Decomposes 

Exact Mass: 458.168 g/mol 

Monoisotopic Mass: 458.168 g/mol

Product Introduction: Lithium Bis(trifluoromethanesulfonyl)imide (LiTFSI, CAS #: 127503-04-2)

Lithium bis(trifluoromethanesulfonyl)imide, with the chemical formula LiN(SO₂CF₃)₂ and CAS number 127503-04-2, is a high-performance lithium salt widely recognized as a critical electrolyte component in advanced lithium-ion batteries (LIBs) and next-generation energy storage systems. This white crystalline solid combines a lithium cation (Li⁺) with a bis(trifluoromethanesulfonyl)imide anion (TFSI⁻), offering exceptional thermal stability, high ionic conductivity, and broad electrochemical compatibility. Its unique structure minimizes hydrolysis and corrosive byproduct formation, making it a cornerstone material for enhancing battery performance, safety, and longevity.

Chemical & Physical Properties

LiTFSI exhibits a set of properties that position it as a premium electrolyte salt for high-performance energy storage:

Solubility: Highly soluble in a wide range of polar organic solvents, including ethylene carbonate (EC), dimethyl carbonate (DMC), and ionic liquids, as well as in water. This versatility allows for flexible formulation of electrolytes, including high-concentration and localized high-concentration systems.

Ionic Conductivity: Delivers excellent ionic conductivity (up to 10 mS/cm in optimized solvent blends), facilitating efficient lithium-ion transport in LIBs and enabling rapid charge-discharge rates.

Thermal Stability: Maintains stability at temperatures up to approximately 280°C, significantly outperforming conventional LiPF₆ and enhancing battery safety in high-temperature environments.

Electrochemical Window: Boasts an ultra-wide electrochemical stability window (up to 5.5 V vs. Li⁺/Li), compatible with high-voltage cathodes such as LiNi₀.₅Mn₁.₅O₄, LiCoO₂, and nickel-rich NCM (LiNiₓCoᵧMn_zO₂) materials.

Hydrolytic Stability: Exhibits strong resistance to hydrolysis compared to LiPF₆, minimizing the formation of corrosive hydrofluoric acid (HF) even when exposed to trace moisture, thus protecting electrode materials and extending battery lifespan.

Key Applications in Energy Storage

Lithium bis(trifluoromethanesulfonyl)imide (CAS 127503-04-2) is pivotal to advancing lithium-based energy storage technologies:

Lithium-Ion Batteries (LIBs): Used as a co-salt or additive in LIB electrolytes to improve performance, particularly in high-energy-density systems for electric vehicles (EVs) and portable electronics. Its stability enhances cycle life (often exceeding 2,000 cycles) and reduces capacity fade.

Lithium-Metal Batteries (LMBs): Enables the development of high-energy-density LMBs by forming a stable solid electrolyte interphase (SEI) on lithium metal anodes, suppressing dendrite growth—a critical challenge in realizing practical LMBs.

Solid-State Batteries (SSBs): Integral to polymer and composite solid electrolytes, where its high solubility in polymer matrices (e.g., PEO) enhances ionic conductivity, enabling the transition from liquid to solid electrolytes for improved safety.

Lithium-Sulfur Batteries: Mitigates the shuttle effect of polysulfides in lithium-sulfur systems by forming a protective layer on the sulfur cathode, improving coulombic efficiency and cycle stability.

Supercapacitors: Utilized in electrolytes for lithium-ion supercapacitors, where its high conductivity and stability contribute to high power density and long cycle life.

Advantages Over Conventional Lithium Salts

LiTFSI offers significant benefits compared to traditional lithium electrolyte salts like LiPF₆ and lithium tetrafluoroborate (LiBF₄):

Stability: Superior thermal, chemical, and hydrolytic stability reduces electrolyte degradation, minimizing gas generation and extending battery lifespan—critical for EV and grid storage applications.

Performance: Enables higher energy and power densities by supporting high-voltage cathodes and fast charge rates, narrowing the gap between battery performance and end-user demands.

Compatibility: Works seamlessly with a broad range of electrode materials, including graphite, silicon, lithium metal, and high-nickel cathodes, providing flexibility in battery design.

Safety: Reduced risk of thermal runaway and HF formation enhances battery safety, making it suitable for large-scale installations and consumer electronics.

Synthesis & Quality Control

LiTFSI is synthesized through precise processes to ensure high purity and consistency:

Precursor Formation: Trifluoromethanesulfonamide (CF₃SO₂NH₂) reacts with trifluoromethanesulfonyl chloride (CF₃SO₂Cl) in the presence of a base to form bis(trifluoromethanesulfonyl)imide (HTFSI).

Lithiation: HTFSI is neutralized with lithium hydroxide (LiOH) or lithium carbonate (Li₂CO₃) in an organic solvent, followed by crystallization to produce LiTFSI.

Purification: Recrystallization from anhydrous solvents (e.g., acetonitrile) and drying under vacuum remove residual moisture and impurities, ensuring purity levels of 99.9% or higher.

Quality control involves ion chromatography (IC) for anion analysis, inductively coupled plasma mass spectrometry (ICP-MS) for trace metal detection, and Karl Fischer titration to verify moisture content (typically below 10 ppm). Battery-grade LiTFSI undergoes additional purification to meet strict industry standards.

Safety & Handling

Proper handling of LiTFSI is essential to maintain performance and safety:

Hygroscopicity: Absorbs moisture moderately from the air; store in sealed containers under an inert atmosphere (e.g., nitrogen or argon) to prevent hydration.

Toxicity: May cause skin and eye irritation; use chemical-resistant gloves, goggles, and a lab coat when handling. In case of contact, rinse thoroughly with water.

Reactivity: Avoid contact with strong reducing agents and combustible materials, as it may act as an oxidizer under extreme conditions.

Storage: Keep in a cool, dry, well-ventilated area, away from heat sources and direct sunlight.

Refer to the product’s Safety Data Sheet (SDS) for detailed safety guidelines and emergency response procedures.

Packaging & Availability

We offer LiTFSI in various forms to suit different applications:

Anhydrous Powder: Packaged in moisture-proof aluminum bags (100g–10kg) with inert gas purging to prevent hydration.

Solutions: Available as pre-dissolved solutions (5–20% w/w) in organic solvents (e.g., EC/DMC mixtures) or ionic liquids, packaged in 1L–50L containers for easy integration into electrolyte formulations.

Bulk quantities (50kg+ drums) are available for industrial-scale production. Custom purities and particle sizes can be provided to meet specific customer requirements, including ultra-low metal impurity grades for advanced battery research.

For technical specifications, pricing, or sample requests, contact our sales team, which specializes in advanced electrolyte materials for lithium-based energy storage systems.

Health & Safety Information

 Signal Word: Danger 

Hazard Statements: H225 

Hazard Codes: F 

Precautionary Statements: P210-P280-P240-P241-P303+P361+P353-P501 

Flash Point: 13 °C (ethanol) 

Risk Codes: N/A 

Safety Statements: N/A 

Harmonized Tariff Code: 2905.19 

Transport Information: UN1170 3/PG II 

GHS Pictogram: Image

Chemical Identifiers

 Linear Formula: LiTa(OCH2CH3]6 

Pubchem CID: 131675759 

MDL Number: MFCD00210630 

EC No.: N/A 

IUPAC Name: lithium; ethanolate; tantalum(5+) 

SMILES: [Li+].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].CC[O-].[Ta+5] 

InchI Identifier: InChI=1S/6C2H5O.Li.Ta/c6*1-2-3;;/h6*2H2,1H3;;/q6*-1;+1;+5 

InchI Key: RISCZOQVXLVCQY-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.