Lithium tert-butoxide SolutionCAS #: 1907-33-1

Synonyms

 Lithium t-butoxide solution, aqueous Lithium tert-butoxide; Lithium 2-methylpropan-2-olate; Tert-Butoxylithium; Lithium tert-butylate; Tert-Butyl alcohol, lithium salt

Compound Formula: C4H9LiO 

Molecular Weight: 80.05 

Appearance: Brown liquid 

Melting Point: N/A 

Boiling Point: N/A 

Density: 0.89 g/L 

Solubility in H2O: N/A 

Exact Mass: 80.081344 g/mol 

Monoisotopic Mass: 80.081344 g/mol 

Charge: 0

Product Introduction: Sodium Hexafluorophosphate (NaPF₆, CAS #: 1907-33-1)

Sodium hexafluorophosphate, with the chemical formula NaPF₆ and CAS number 1907-33-1, is a key inorganic salt widely used as an electrolyte component in sodium-ion batteries (SIBs) and other sodium-based electrochemical systems. This white crystalline solid combines a sodium cation (Na⁺) with a hexafluorophosphate anion (PF₆⁻), offering high solubility in organic solvents, moderate ionic conductivity, and compatibility with various electrode materials. Its role as a cost-effective electrolyte salt makes it a foundational material in the development of low-cost energy storage solutions leveraging abundant sodium resources.

Chemical & Physical Properties

NaPF₆ exhibits properties that make it a practical choice for sodium-based electrolytes:

Solubility: Highly soluble in polar organic solvents such as ethylene carbonate (EC), dimethyl carbonate (DMC), and propylene carbonate (PC), enabling the formulation of electrolytes with concentrations up to 1.0 M. It is also sparingly soluble in water, with limited hydrolysis under controlled conditions.

Ionic Conductivity: Delivers moderate ionic conductivity (typically 4–7 mS/cm in optimized organic solvent mixtures), supporting efficient sodium-ion transport in SIBs.

Thermal Stability: Maintains stability up to approximately 180°C, though it decomposes at higher temperatures to release toxic phosphorus pentafluoride (PF₅) and sodium fluoride (NaF), requiring careful handling in high-temperature applications.

Electrochemical Window: Offers a reasonable electrochemical stability window (up to 4.5 V vs. Na⁺/Na), compatible with common SIB cathodes such as Prussian blue analogs, sodium nickel manganese oxides (NaxNi₀.₅Mn₀.₅O₂), and sodium vanadium phosphates (Na₃V₂(PO₄)₃).

Hygroscopicity: Moderately hygroscopic, absorbing moisture from the air to undergo partial hydrolysis, which generates hydrofluoric acid (HF)—a corrosive byproduct that can degrade electrode materials if not managed.

Key Applications in Sodium-Ion Batteries

Sodium hexafluorophosphate (CAS 1907-33-1) is widely employed in SIBs and related systems:

Primary Electrolyte Salt in SIBs: Serves as a standard electrolyte salt in research and early-stage commercial SIBs, providing a balance of solubility, conductivity, and cost-effectiveness. It is often used as a baseline for evaluating new electrolyte formulations.

Electrolyte Blends: Blended with other sodium salts (e.g., NaFSI, NaTFSI) to improve stability and reduce HF formation. Such blends enhance cycle life and high-temperature performance in SIBs designed for grid storage and stationary applications.

Sodium-Based Supercapacitors: Utilized in electrolytes for sodium-ion supercapacitors, where its ionic conductivity contributes to high power density and rapid charge-discharge cycles, suitable for short-duration energy storage.

Electrochemical Research: A common reagent in studies of sodium-based electrode materials, providing a reference electrolyte to assess cathode and anode performance.

Advantages & Limitations

NaPF₆ offers specific benefits alongside considerations for its use:

Cost-Effectiveness: More affordable than advanced sodium salts like NaTFSI, making it accessible for large-scale testing and early-stage SIB commercialization.

Established Use: A well-characterized material with a known performance profile, simplifying its integration into existing battery manufacturing processes.

Compatibility: Works with a range of SIB electrode materials, providing flexibility in battery design for different applications.

Limitations: Hydrolysis-induced HF formation can degrade cathodes and anodes over time, reducing cycle life. Its thermal stability is also lower than that of newer salts like NaFSI, restricting its use in high-temperature environments.

Synthesis & Quality Control

NaPF₆ is synthesized through straightforward metathesis reactions:

Precursor Reaction: Sodium fluoride (NaF) reacts with phosphorus pentafluoride (PF₅) in an anhydrous organic solvent (e.g., sulfur dioxide or acetonitrile) under inert atmosphere: NaF + PF₅ → NaPF₆.

Purification: The crude product is purified via recrystallization from anhydrous solvents to remove unreacted precursors and impurities, followed by drying under vacuum to reduce moisture content.

Quality control includes ion chromatography (IC) for anion analysis, inductively coupled plasma mass spectrometry (ICP-MS) for trace metal detection, and Karl Fischer titration to ensure moisture content is below 50 ppm. Battery-grade NaPF₆ typically achieves purity levels of 99.9%.

Safety & Handling

Proper handling of NaPF₆ is critical due to its hydrolysis and thermal decomposition risks:

Moisture Control: Store in tightly sealed containers under an inert atmosphere (e.g., nitrogen) to minimize hydrolysis. Use in dry environments and avoid exposure to water or high humidity.

Toxicity: Decomposition and hydrolysis products (HF, PF₅) are highly toxic and corrosive, causing severe skin, eye, and respiratory irritation. Wear chemical-resistant gloves, goggles, and a respirator in poorly ventilated areas.

Thermal Hazards: Avoid high temperatures to prevent decomposition. Keep away from open flames and strong oxidizers.

Disposal: Dispose of waste in accordance with local regulations for fluoride and phosphorus-containing compounds, ensuring proper containment to prevent environmental contamination.

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

Packaging & Availability

NaPF₆ is available in forms tailored to research and industrial needs:

Crystalline Powder: Packaged in moisture-resistant aluminum bags (100g–10kg) with desiccants to minimize hydrolysis.

Solutions: Pre-dissolved solutions in organic solvents (e.g., EC/DMC mixtures) are available for immediate use, packaged in sealed containers (1L–20L).

Bulk quantities (50kg+ drums) are available for industrial-scale SIB production. Custom purities and low-moisture grades can be requested for specialized applications.

For technical specifications, pricing, or sample requests, contact our sales team specializing in electrolyte materials for sodium-based energy storage.

Health & Safety Information 

Signal Word: Danger 

Hazard Statements: H225-H251-H314-H335-H351 

Hazard Codes: F, C, T 

Risk Codes: N/A 

Safety Statements: N/A 

RTECS Number: N/A 

Transport Information: UN 2924 8(3) / 

PGII WGK Germany: 3

Chemical Identifiers 

Linear Formula: (CH3)3COLi 

Pubchem CID: 23664764 

MDL Number: FCD00050479 

EC No.: 217-611-5 

IUPAC Name: lithium; 2-methylpropan-2-olate 

Beilstein/Reaxys No.: 3620018

SMILES: [Li+].CC(C)(C)[O-] 

InchI Identifier: InChI=1S/C4H9O.Li/c1-4(2,3)5;/h1-3H3;/q-1;+1 

InchI Key: LZWQNOHZMQIFBX-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.