Lithium Tetraphenylborate tris(1,2-dimethoxyethane)CAS #: 75965-35-4

Synonyms

 Lithium tetraphenylborate tris(1, 2-dimethoxyethane) adduct; Lithium tetraphenylborate(1-) - 1,2-dimethoxyethane (1:1:3); Tetraphenylboron lithium tris(1,2-dimethoxyethane), LiB(C6H5)4·3CH3OCH2CH2OCH3

Compound Formula: C36H50BLiO6 

Molecular Weight: 596.53 

Appearance: White crystalline powder 

Melting Point: N/A 

Boiling Point: N/A 

Density: N/A 

Solubility in H2O: N/A 

Exact Mass: 596.386049 

Monoisotopic Mass: 596.386049

Product Introduction: Lithium Bis(fluorosulfonyl)imide (LiFSI, CAS #: 75965-35-4)

Lithium bis(fluorosulfonyl)imide, with the chemical formula LiN(SO₂F)₂ and CAS number 75965-35-4, is an advanced lithium salt gaining prominence as a high-performance electrolyte additive and main electrolyte component in next-generation lithium-ion batteries. This white crystalline solid combines exceptional ionic conductivity, thermal stability, and compatibility with electrode materials, making it a key material for enhancing battery performance, safety, and longevity.

Chemical & Physical Properties

LiFSI exhibits a set of superior properties that distinguish it from conventional lithium salts:

Solubility: Highly soluble in a wide range of organic solvents, including ethylene carbonate (EC), dimethyl carbonate (DMC), and ethyl methyl carbonate (EMC), enabling the formulation of high-concentration electrolytes.

Ionic Conductivity: Delivers ionic conductivity exceeding 10 mS/cm in optimized solvent mixtures, surpassing that of lithium hexafluorophosphate (LiPF₆), the most common electrolyte salt in lithium-ion batteries.

Thermal Stability: Remains stable up to approximately 200°C, significantly higher than LiPF₆ (which decomposes above 80°C), reducing the risk of thermal runaway in batteries.

Electrochemical Stability: Boasts a wide electrochemical window (up to 5.5 V vs. Li⁺/Li), making it compatible with high-voltage cathodes (e.g., nickel-rich NCM, lithium cobalt oxide) used in high-energy-density batteries.

Hydrolytic Stability: More resistant to hydrolysis than LiPF₆, generating fewer toxic byproducts (e.g., HF) when exposed to moisture, improving battery durability.

Key Applications in Energy Storage

Lithium bis(fluorosulfonyl)imide (CAS 75965-35-4) is revolutionizing battery technology through its versatile applications:

Lithium-Ion Batteries: Used as a main electrolyte salt or additive in batteries for electric vehicles (EVs), consumer electronics, and energy storage systems. When used as an additive (typically 1–5% by weight), it forms a stable solid electrolyte interphase (SEI) on the anode, reducing capacity fade and improving cycle life.

Solid-State Batteries (SSBs): Enhances the ionic conductivity of polymer and ceramic electrolytes in SSBs, addressing a key limitation of these emerging battery technologies.

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

High-Temperature Batteries: Performs reliably at elevated temperatures (60–100°C), making it suitable for batteries used in harsh environments, such as aerospace and industrial equipment.

Advantages Over Conventional Electrolyte Salts

LiFSI offers significant benefits compared to traditional lithium salts like LiPF₆:

Safety: Higher thermal and hydrolytic stability reduces the risk of electrolyte decomposition and gas generation, enhancing battery safety.

Performance: Improves cycle life (by 20–30% in many formulations) and high-rate capability, enabling faster charging and discharging.

Compatibility: Works with a broader range of electrode materials, including silicon anodes and high-voltage cathodes, supporting next-generation battery chemistries.

Durability: Minimizes corrosion of battery components (e.g., current collectors) due to reduced HF formation, extending battery lifespan.

Synthesis & Quality Control

LiFSI is synthesized through multi-step processes to ensure high purity:

Precursor Preparation: Fluorosulfonyl isocyanate (FSO₂NCO) reacts with hydrogen fluoride (HF) to form bis(fluorosulfonyl)amine (HFSI), a key intermediate.

Lithiation: HFSI is neutralized with lithium hydroxide (LiOH) or lithium carbonate (Li₂CO₃) in an organic solvent, followed by crystallization to yield LiFSI.

Purification: Recrystallization and drying under vacuum remove impurities (e.g., chloride, sulfate, and water), ensuring purity levels of 99.9% or higher.

Quality control includes ion chromatography (IC) for anion analysis, inductively coupled plasma mass spectrometry (ICP-MS) for metal impurity testing, and Karl Fischer titration to measure moisture content (typically below 10 ppm).

Safety & Handling

Proper handling of LiFSI is essential due to its chemical properties:

Toxicity: May cause skin and eye irritation; avoid direct contact and use chemical-resistant gloves and goggles.

Moisture Sensitivity: While more stable than LiPF₆, it can react with excessive moisture to form HF; store in sealed containers under dry, inert atmosphere (e.g., argon).

Storage: Keep away from strong oxidizers and reducing agents. Store at room temperature in a well-ventilated area.

Refer to the product’s Safety Data Sheet (SDS) for detailed safety protocols.

Packaging & Availability

We offer LiFSI in various forms to meet application needs:

Powder: Packaged in moisture-proof aluminum bags (100g–5kg) with inert gas purging.

Solution: Available as a 10–20% solution in organic solvents (e.g., EC/DMC mixtures) for easy integration into electrolyte formulations, packaged in 1L–20L bottles.

Bulk quantities (50kg+ drums) are available for industrial-scale battery production. Custom purities and particle sizes can be provided for specialized applications.

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

Health & Safety Information

 Signal Word: Danger

 Hazard Statements: H228-H315-H319-H335 

Hazard Codes: F, Xi 

Risk Codes: 11-36/37/38 

Safety Statements: 16-26-36/37/39 

RTECS Number: N/A 

Transport Information: UN 1325 4.1/PG 2 

WGK Germany: 3

Chemical Identifiers 

Linear Formula: C24H20BLi • 3C4H10O2 

Pubchem CID: 23681136 

MDL Number: MFCD00013311 EC No.: N/A 

IUPAC Name: lithium; 1,2-dimethoxyethane; tetraphenylboranuide 

SMILES: [Li+].[B-](C1=CC=CC=C1)(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4.COCCOC.COCCOC.COCCOC 

InchI Identifier: InChI=1S/C24H20B.3C4H10O2.Li/c1-5-13-21(14-6-1)25(22-15-7-2-8-16-22,23-17-9-3-10-18-23)24-19-11-4-12-20-24;3*1-5-3-4-6-2;/h1-20H;3*3-4H2,1-2H3;/q-1;;;;+1 

InchI Key: ADYUZFWVPWDPFK-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.