Lithium Potassium TitanateCAS #: 39318-30-4

Synonyms

 Lithium Magnesium Titanium Oxide, KLiOTi

Compound Formula: KLiTiO3 

Molecular Weight: 141.9 

Appearance: White to off-white powder 

Melting Point: 1150-1250 °C 

Boiling Point: N/A 

Density: ~3.5 g/cm3 

Solubility in H2O: N/A 

pH: 9.5-11.5 

Exact Mass: 141.9123945 

Monoisotopic Mass: 141.9123945 

Mohs Hardness: ~4 Crystal Phase / 

Structure: Monoclinic

Product Introduction: Cesium Trifluoromethanesulfonate (CsCF₃SO₃, CAS #: 39318-30-4)

Cesium trifluoromethanesulfonate, with the chemical formula CsCF₃SO₃ and CAS number 39318-30-4, is a specialized fluorinated salt renowned for its unique ionic properties and stability in extreme conditions. Composed of cesium cations (Cs⁺) and trifluoromethanesulfonate anions (CF₃SO₃⁻), this white crystalline compound combines high solubility, thermal resilience, and electrochemical inertness, making it indispensable in advanced materials science, catalysis, and high-performance energy systems. Its large cation size and the strongly electron-withdrawing nature of the trifluoromethanesulfonate group endow it with distinct behaviors in solution and solid-state applications, setting it apart from lighter alkali metal analogs like sodium or potassium trifluoromethanesulfonate.

Chemical & Physical Properties

Cesium trifluoromethanesulfonate exhibits a set of properties tailored to high-tech applications:

Solubility: Highly soluble in polar solvents, including water (210 g/100 mL at 25°C), methanol, acetonitrile, and dimethylformamide (DMF). This exceptional solubility enables high-concentration electrolytes (up to 3 M in organic solvents), supporting high ionic conductivity in electrochemical devices.

Thermal Stability: Demonstrates remarkable thermal stability, decomposing above 350°C—significantly higher than many sulfonate salts. This resilience allows its use in high-temperature processes, such as catalyst regeneration and extreme-environment sensors.

Hygroscopicity: Moderately hygroscopic, absorbing moisture from the air but remaining chemically stable even when hydrated. Unlike some fluorinated salts, it does not undergo hydrolysis, simplifying storage and handling in ambient conditions.

Density & Structure: Has a density of 3.0 g/cm³ and a molar mass of 301.98 g/mol, with a crystalline lattice structure that promotes efficient ion dissociation. The large Cs⁺ cation reduces lattice energy, enhancing solubility in both polar and weakly polar solvents.

Ionic Conductivity: Exhibits high ionic conductivity in solution (up to 20 mS/cm in 1 M acetonitrile) due to the excellent dissociation of Cs⁺ and CF₃SO₃⁻ ions, making it ideal for electrolyte applications requiring rapid ion transport.

Key Applications

Cesium trifluoromethanesulfonate (CAS 39318-30-4) finds critical use in specialized fields demanding high performance and stability:

Advanced Energy Storage: Serves as an electrolyte additive in high-temperature batteries and supercapacitors. In cesium-ion batteries (CIBs), it enhances the stability of electrolytes at elevated temperatures (100–150°C), enabling operation in harsh environments like geothermal power plants. Its addition to electrolytes increases cycle life by 30% compared to conventional salts, as the large Cs⁺ cation suppresses dendrite formation on electrodes.

Catalysis and Organic Synthesis: Acts as a Lewis acid catalyst in demanding organic reactions, including Friedel-Crafts alkylations and fluorination processes. Its unique cation size promotes selective activation of substrates, achieving yields of 90%+ in the synthesis of pharmaceutical intermediates and fluorinated agrochemicals. It also facilitates the formation of carbon-carbon bonds in cross-coupling reactions, outperforming lighter alkali metal catalysts in sterically hindered systems.

Materials Science: Used in the synthesis of ion-conducting polymers and ceramics. When doped into sulfide-based solid electrolytes, it increases ionic conductivity by 2–3 orders of magnitude, enabling their use in solid-state batteries. It also functions as a flux in the production of optical glasses, reducing melting points and improving transparency in the infrared spectrum.

Analytical Chemistry: Employed as an additive in mass spectrometry and ion chromatography to enhance ionization efficiency and peak resolution. Its large cation size minimizes interference with analyte detection, making it valuable for quantifying trace metals and organic compounds in complex matrices.

Nuclear Energy: Utilized in molten salt reactors (MSRs) as a component of coolant mixtures. Its high thermal stability and low neutron absorption cross-section (0.2 barns for Cs-133) make it suitable for regulating reactor temperature and neutron flux, complementing other molten salts like FLiBe (fluoride-lithium-beryllium).

Advantages & Limitations

Cesium trifluoromethanesulfonate offers distinct benefits for specialized applications, alongside considerations for use:

Extreme Condition Performance: Its thermal stability and resistance to chemical attack make it ideal for high-temperature, corrosive, or radiation-exposed environments—settings where lighter alkali metal salts degrade.

Ionic Properties: The large Cs⁺ cation reduces ion pairing in solution, enhancing ionic conductivity and catalytic activity in both aqueous and organic systems. This property is critical for electrochemical devices requiring high power density.

Selectivity: In catalysis, its size and charge characteristics enable selective activation of substrates, reducing side reactions and improving product purity.

Limitations: Higher cost compared to sodium or potassium analogs due to the relative scarcity of cesium (3 ppm in Earth’s crust) restricts large-scale use in cost-sensitive applications. Its high density may also limit use in weight-critical applications like aerospace components.

Synthesis & Quality Control

Cesium trifluoromethanesulfonate is produced through controlled neutralization and purification:

Acid-Base Reaction: Trifluoromethanesulfonic acid (CF₃SO₃H) reacts with cesium carbonate (Cs₂CO₃) or cesium hydroxide (CsOH) in aqueous solution: 2 CF₃SO₃H + Cs₂CO₃ → 2 CsCF₃SO₃ + CO₂ + H₂O.

Purification: The crude product is recrystallized from anhydrous methanol or acetonitrile to remove impurities, achieving purity levels of 99.9% for electronic and nuclear grades.

Quality control includes:

Ion chromatography to verify anion purity and detect residual chloride or sulfate.

Inductively coupled plasma mass spectrometry (ICP-MS) to measure trace metals (Na, K, Ca <1 ppm) critical for high-purity applications.

Thermal gravimetric analysis (TGA) to confirm decomposition onset (>350°C).

Safety & Handling

Proper handling of cesium trifluoromethanesulfonate is guided by its chemical properties:

Toxicity: Low acute toxicity, but ingestion or inhalation of dust may cause irritation to mucous membranes. Cesium ions exhibit low bioaccumulation, but chronic exposure should be minimized.

Handling: Wear nitrile gloves, safety goggles, and a dust respirator 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 and heavy metals. Neutralize spills with calcium hydroxide (Ca(OH)₂) to form insoluble fluorides and cesium salts.

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

Packaging & Availability

Cesium trifluoromethanesulfonate is available in forms tailored to specialized applications:

High-Purity Grade: 100g–5kg bottles with 99.9% purity for electronics, catalysis, and nuclear applications.

Research Grade: 10g–100g vials for laboratory use, ensuring ultra-low metal impurities (<0.1 ppm).

Solution Form: Pre-dissolved in solvents like acetonitrile (1 M) or water (0.5 M) in 100mL–1L containers for immediate use in reactions or electrolyte preparation.

Global production is limited to specialized chemical manufacturers in Europe, the United States, and Japan, with annual capacity exceeding 50 tons. Supply is tightly linked to cesium ore availability, primarily from Canadian and Zimbabwean sources.

For technical specifications, custom formulations, or sourcing support, contact our team specializing in rare alkali metal compounds and advanced materials.

Health & Safety Information

 Signal Word: Warning 

Hazard Statements: H303-H315-H320-H335 

Hazard Codes: Xi 

Risk Codes: N/A 

Safety Statements: N/A 

Transport Information: NONH for all modes of transport 

GHS Pictogram: Image

Chemical Identifiers

 Linear Formula: LiKTiO3 

Pubchem CID: 56842921 

MDL Number: N/A 

EC No.: 445-620-6 

IUPAC Name: lithium; potassium; oxygen(2-); titanium(4+) 

SMILES: [Li+].[O-2].[O-2].[O-2].[K+].[Ti+4] 

InchI Identifier: InChI=1S/K.Li.3O.Ti/q2*+1;3*-2;+4 

InchI Key: KYNMDCQWTUNNCD-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.