Lithium TetramethylcyclopentadienideCAS #: 82061-21-0

Synonyms

 Tetramethyl-2,4-cyclopentadienyllithium, 2,3,4,5-Tetramethyl-2,4-cyclopentadienyllithium

Compound Formula: C9H13Li 

Molecular Weight: 128.14 

Appearance: Off-white powder 

Melting Point: >300 °C 

Boiling Point: N/A 

Density: N/A 

Solubility in H2O: N/A 

Exact Mass: 128.118 g/mol 

Monoisotopic Mass: 128.118 g/mol

Product Introduction: Lithium Bis(trifluoromethanesulfonyl)imide (LiTFSI, CAS #: 82061-21-0)

Lithium bis(trifluoromethanesulfonyl)imide, with the chemical formula LiN(SO₂CF₃)₂ and CAS number 82061-21-0, is a high-performance lithium salt widely recognized for its exceptional properties in advanced electrolyte systems. This hygroscopic white crystalline solid has emerged as a key material in next-generation energy storage technologies, offering superior ionic conductivity, chemical stability, and compatibility with diverse electrode materials. Its unique structure, featuring two trifluoromethanesulfonyl groups bonded to a central nitrogen atom, endows it with characteristics that outperform many conventional electrolyte salts.

Chemical & Physical Properties

LiTFSI exhibits a range of properties that make it a standout choice for high-performance electrolytes:

Solubility: Highly soluble in both aqueous and organic solvents, including ethylene carbonate (EC), propylene carbonate (PC), and dimethyl sulfoxide (DMSO), enabling flexible formulation of electrolytes for various battery chemistries.

Ionic Conductivity: Delivers high ionic conductivity (up to 15 mS/cm in optimized organic solvent mixtures), facilitating efficient lithium-ion transport in battery cells.

Thermal Stability: Maintains stability at temperatures up to approximately 280°C, far exceeding the thermal tolerance of lithium hexafluorophosphate (LiPF₆), making it suitable for high-temperature applications.

Electrochemical Window: Boasts an exceptionally wide electrochemical stability window (up to 6.0 V vs. Li⁺/Li), compatible with high-voltage cathodes such as lithium nickel manganese oxide (LiNi₀.₅Mn₁.₅O₄) and lithium cobalt oxide (LiCoO₂).

Hydrolytic Stability: More resistant to hydrolysis than LiPF₆, reducing the formation of corrosive byproducts like hydrofluoric acid (HF) and enhancing long-term battery durability.

Key Applications in Energy Storage

Lithium bis(trifluoromethanesulfonyl)imide (CAS 82061-21-0) is integral to advancing energy storage technologies:

Lithium-Ion Batteries: Used as a main electrolyte salt or additive in batteries for electric vehicles (EVs), portable electronics, and grid storage systems. When added in small amounts (2–5% by weight), it improves the stability of the solid electrolyte interphase (SEI) on graphite anodes, reducing capacity fade.

Solid-State Batteries (SSBs): Enhances the ionic conductivity of polymer electrolytes (e.g., polyethylene oxide-based systems) and composite electrolytes, addressing a critical barrier to the commercialization of SSBs.

Lithium-Metal Batteries: Enables the use of lithium metal anodes by suppressing dendrite growth, a key challenge in developing high-energy-density lithium-metal batteries with improved safety.

Supercapacitors: Utilized in electrolytes for electrochemical double-layer capacitors (EDLCs) and pseudocapacitors, where its high conductivity and stability contribute to enhanced power density and cycle life.

Specialty Batteries: Deployed in high-temperature batteries for aerospace, military, and industrial applications, where reliable performance under extreme conditions is essential.

Advantages Over Conventional Electrolyte Salts

LiTFSI offers significant advantages compared to traditional electrolyte salts like LiPF₆ and lithium perchlorate (LiClO₄):

Stability: Superior thermal and chemical stability reduces electrolyte decomposition, minimizing gas generation and improving battery safety.

Compatibility: Works with a broader range of electrode materials, including silicon anodes, high-voltage cathodes, and lithium metal, enabling the development of higher-energy-density batteries.

Durability: Reduced tendency to form corrosive byproducts extends the lifespan of battery components, such as current collectors and separators.

Versatility: Compatible with both liquid and solid electrolytes, making it a flexible choice for diverse energy storage platforms.

Synthesis & Quality Control

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

Precursor Formation: Trifluoromethanesulfonyl fluoride (CF₃SO₂F) reacts with ammonia (NH₃) to form bis(trifluoromethanesulfonyl)amine (HTFSI), a key intermediate.

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

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

Quality control involves ion chromatography (IC) to analyze anion purity, inductively coupled plasma mass spectrometry (ICP-MS) for trace metal detection, and Karl Fischer titration to verify moisture content (typically below 20 ppm).

Safety & Handling

Proper handling of LiTFSI is essential due to its properties:

Hygroscopicity: Absorbs moisture readily from the air, which can affect performance; store in sealed containers under an inert atmosphere (e.g., nitrogen or argon).

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.

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/PC mixtures) for easy integration into electrolyte formulations, packaged in 1L–50L containers.

Bulk quantities (50kg+ drums) are available for industrial-scale production. Custom purities and particle sizes can be provided to meet specific customer requirements.

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

Health & Safety Information

 Signal Word: Danger 

Hazard Statements: H250 

Hazard Codes: F 

Precautionary Statements: P222-P231-P422 

Risk Codes: N/A 

Safety Statements: N/A 

Transport Information: UN 3392 4.2 / PGI 

WGK Germany: 3 

GHS Pictogram: Image

Chemical Identifiers

 Linear Formula: LiC5H(CH3)4 

Pubchem CID: 16213219 

MDL Number: MFCD00269824 EC No.: 624-852-3 

IUPAC Name: lithium; 1,2,4,5-tetramethylcyclopenta-1,3-diene 

SMILES: [Li].CC1=CC(=C([C]1C)C)C 

InchI Identifier: InChI=1S/C9H13.Li/c1-6-5-7(2)9(4)8(6)3;/h5H,1-4H3; 

InchI Key: HSQYLEJMIWEJBM-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.