Lithium Pyruvate MonohydrateCAS #: 2922-61-4

Synonyms 

Lithium 2-oxopropanoate hydrate; Pyruvic Acid Lithium Salt; LithoTab 2-oxopropanoate

Compound Formula: C3H5LiO4 

Molecular Weight: 112.009 

Appearance: White crystalline powder 

Melting Point: N/A 

Boiling Point: N/A 

Density: N/A 

Solubility in H2O: N/A 

Exact Mass: 112.035 g/mol 

Monoisotopic Mass: 112.035 g/mol

Product Introduction: Sodium Trifluoromethanesulfonate (NaCF₃SO₃, CAS #: 2922-61-4)

Sodium trifluoromethanesulfonate, with the chemical formula NaCF₃SO₃ and CAS number 2922-61-4, is a versatile fluorinated salt valued for its exceptional chemical stability, high solubility, and unique ionic properties. Composed of sodium cations (Na⁺) and trifluoromethanesulfonate anions (CF₃SO₃⁻), this white crystalline compound finds applications across diverse fields, including electrochemistry, organic synthesis, and materials science. Its trifluoromethyl group (-CF₃) endows it with strong electron-withdrawing characteristics, making it a valuable reagent in reactions requiring stable anions or ionic conductivity. As industries seek high-performance, low-toxicity alternatives to traditional salts, sodium trifluoromethanesulfonate has emerged as a preferred choice for its balance of reactivity, stability, and environmental compatibility.

Chemical & Physical Properties

Sodium trifluoromethanesulfonate exhibits properties that underpin its broad utility:

Solubility: Highly soluble in polar solvents, including water (170 g/100 mL at 20°C), methanol, acetonitrile, and dimethyl sulfoxide (DMSO). This high solubility enables its use as an ionic source in both aqueous and non-aqueous systems, with electrolyte concentrations exceeding 2 M in organic solvents.

Thermal Stability: Exceptionally thermally stable, decomposing above 300°C—far higher than many sulfonate salts. This stability allows its use in high-temperature reactions and industrial processes without degradation.

Hygroscopicity: Moderately hygroscopic, absorbing moisture from the air but remaining stable under ambient conditions. Unlike highly reactive fluorinated salts, it does not hydrolyze readily, simplifying storage and handling.

Density & Structure: Has a density of 2.5 g/cm³ and a molar mass of 172.07 g/mol, with a crystalline structure that promotes efficient ion dissociation in solution, enhancing ionic conductivity.

Chemical Inertness: The CF₃SO₃⁻ anion is chemically inert toward most organic and inorganic reagents, making it a suitable counterion in sensitive reactions where other anions (e.g., chloride, sulfate) might interfere.

Key Applications

Sodium trifluoromethanesulfonate (CAS 2922-61-4) is employed in a range of critical applications:

Electrochemical Systems: Serves as an electrolyte salt or additive in batteries, supercapacitors, and fuel cells. In sodium-ion batteries (SIBs), it enhances ionic conductivity (up to 8 mS/cm in organic electrolytes) and forms a stable solid electrolyte interphase (SEI) on hard carbon anodes, improving cycle life by 40% compared to traditional sodium salts. It is also used in dye-sensitized solar cells (DSSCs) to boost charge transport efficiency.

Organic Synthesis: Acts as a mild Lewis acid catalyst or a source of the trifluoromethanesulfonate group in organic reactions. It facilitates alkylation, acylation, and fluorination reactions, with high selectivity in the synthesis of pharmaceutical intermediates and agrochemicals. For example, it promotes the formation of C-C bonds in cross-coupling reactions, achieving yields of 85–95%.

Materials Science: Used in the synthesis of ionomers and conductive polymers. When incorporated into polymer matrices (e.g., Nafion), it enhances proton conductivity, making these materials suitable for fuel cell membranes. It also functions as a plasticizer in fluoropolymers, improving their mechanical flexibility without compromising chemical resistance.

Analytical Chemistry: Employed as an additive in ion chromatography and mass spectrometry to improve peak resolution and sensitivity. Its stable anion helps quantify trace metals and organic compounds in environmental and biological samples.

Surface Treatment: Used in metal plating baths to improve coating adhesion and uniformity. The CF₃SO₃⁻ anion reduces metal ion hydrolysis, ensuring smooth, defect-free deposits in electroplating of noble metals (e.g., gold, palladium).

Advantages & Limitations

Sodium trifluoromethanesulfonate offers distinct benefits alongside specific considerations:

Stability: Its thermal and chemical inertness makes it suitable for harsh reaction conditions (e.g., high temperatures, acidic/basic environments) where other salts degrade.

Low Toxicity: Compared to other fluorinated compounds (e.g., perfluorooctanesulfonate, PFOS), it exhibits lower bioaccumulation potential, aligning with regulatory trends toward safer chemicals.

Versatility: Compatible with both aqueous and organic systems, enabling its use in diverse applications from battery electrolytes to pharmaceutical synthesis.

Limitations: Higher cost than traditional sulfonate salts (e.g., sodium methanesulfonate) due to fluorination processes, which may restrict large-scale use in cost-sensitive applications. Its hygroscopicity, while moderate, still requires dry storage to maintain purity in moisture-sensitive reactions.

Synthesis & Quality Control

Sodium trifluoromethanesulfonate is produced through controlled fluorination and neutralization:

Trifluoromethanesulfonic Acid Synthesis: Methyl sulfonate is fluorinated using elemental fluorine (F₂) or hydrogen fluoride (HF) to form trifluoromethanesulfonic acid (CF₃SO₃H), a strong acid.

Neutralization: The acid is neutralized with sodium hydroxide (NaOH) or sodium carbonate (Na₂CO₃) in aqueous solution: CF₃SO₃H + NaOH → NaCF₃SO₃ + H₂O. The product is isolated via crystallization and dried to remove residual moisture.

Quality control includes:

Ion chromatography to verify purity (>99.0% for industrial grades) and detect impurities like chloride or sulfate.

Karl Fischer titration to ensure moisture content <0.5%, critical for electrochemical applications.

Nuclear magnetic resonance (NMR) spectroscopy to confirm the structure and absence of organic contaminants.

Safety & Handling

Proper handling of sodium trifluoromethanesulfonate is guided by its properties:

Toxicity: Low acute toxicity, but inhalation of dust may cause respiratory irritation. Chronic exposure to high levels may affect thyroid function due to fluoride content.

Handling: Wear nitrile gloves, safety goggles, and a dust mask when working with the powder. Use in a well-ventilated fume hood to avoid inhalation of particles.

Storage: Keep in a tightly sealed container in a cool, dry place, away from strong acids (which can release toxic HF) and reducing agents.

Disposal: Dispose of waste as hazardous material in accordance with local regulations for fluorinated compounds. Neutralize spills with calcium hydroxide (Ca(OH)₂) to form insoluble calcium fluorides.

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

Packaging & Availability

Sodium trifluoromethanesulfonate is available in forms tailored to industrial and research needs:

Industrial Grade: 25kg–50kg bags or drums for large-scale synthesis and electrochemical applications.

Research Grade: 100g–5kg bottles with high purity (>99.5%) for laboratory use, ensuring low impurity levels.

Solution Form: Pre-dissolved in water or organic solvents (e.g., 10% w/v in acetonitrile) in 1L–20L containers for immediate use in reactions.

Global production is concentrated in regions with advanced fluorochemical manufacturing, including China, the United States, and Europe. Suppliers offer flexible quantities to meet the needs of both small-scale research and large-scale industrial operations.

For technical specifications, pricing, or custom formulations, contact our team specializing in fluorinated chemicals and advanced materials.

Health & Safety Information 

Signal Word: N/A 

Hazard Statements: N/A 

Hazard Codes: N/A 

Risk Codes: N/A 

Safety Statements: N/A 

Transport Information: N/A

Chemical Identifiers 

Linear Formula: C3H3LiO3• H2O 

Pubchem CID: 23719073 

MDL Number: MFCD00036136 

EC No.: 220-872-8 

IUPAC Name: lithium; 2-oxopropanoate; hydrate 

SMILES: [Li+].CC(=O)C(=O)[O-].O 

InchI Identifier: InChI=1S/C3H4O3.Li.H2O/c1-2(4)3(5)6;;/h1H3,(H,5,6);;1H2/q;+1;/p-1 

InchI Key: IBQSQDYKAIHFNA-UHFFFAOYSA-M

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.