Lithium PhosphateCAS #: 10377-52-3

Synonyms 

Trilithium orthophosphate; Phosphoric acid, trilithium salt, Lithium orthophosphate, Trilithium monophosphate, Lithium phosphate tribasic, CAS 13763-32-1, CAS 117384-41-5

Compound Formula: Li3O4P 

Molecular Weight: 115.79 

Appearance: White 

Powder Melting 

Point: N/A 

Boiling Point: N/A 

Density: N/A

Solubility in H2O: N/A 

Exact Mass: 116.001432 

Monoisotopic Mass: 116.001432

Product Introduction: Cobaltocene (Co(C₅H₅)₂, CAS #: 10377-52-3)

Cobaltocene, chemically denoted as Co(C₅H₅)₂ with CAS number 10377-52-3, is a pivotal organometallic compound in the metallocene family, characterized by a central cobalt atom symmetrically sandwiched between two cyclopentadienyl (Cp) rings. This dark purple crystalline solid is renowned for its strong reducing properties, unique redox behavior, and high reactivity, making it an indispensable tool in organic synthesis, electrochemistry, and materials science. Unlike its more stable counterparts such as ferrocene or ruthenocene, cobaltocene’s pronounced electron-donating ability enables specialized applications in electron transfer reactions and catalytic processes where controlled reduction is critical.

Chemical & Physical Properties

The distinct structural and electronic features of cobaltocene result in a unique set of characteristics:

Stability: Highly air-sensitive, undergoing rapid oxidation in ambient conditions to form the cobaltocenium cation, which is more stable. Under inert atmospheres (argon or nitrogen), it remains stable with a melting point of 173°C and decomposes at approximately 220°C, requiring stringent handling to preserve its reactivity.

Solubility: Exhibits excellent solubility in non-polar organic solvents like benzene, toluene, and hexane, and moderate solubility in tetrahydrofuran (THF). This solubility profile facilitates its integration into solution-phase reactions and electrochemical studies.

Redox Behavior: Demonstrates a reversible one-electron oxidation at a remarkably low potential of -0.9 V vs. the ferrocene/ferrocenium (Fc/Fc⁺) couple, classifying it as one of the strongest reducing agents among metallocenes. This property makes it ideal for electron transfer processes, where it readily donates electrons to organic substrates or metal centers.

Magnetic Properties: Paramagnetic due to the presence of three unpaired electrons in the cobalt(II) center, with a magnetic moment of 3.8 Bohr magnetons (BM). This feature enables its use in magnetic resonance studies and spin-labeling techniques in biochemistry.

Structure: Adopts a staggered sandwich geometry (D₅d symmetry) with η⁵ bonding between the cobalt atom and each Cp ring. The relatively weaker metal-ring interactions compared to nickelocene contribute to its heightened reactivity.

Key Applications

Cobaltocene (CAS 10377-52-3) plays a vital role in specialized chemical and materials science applications:

Organic Synthesis: Functions as a powerful reducing agent in reactions requiring controlled electron transfer, such as the reduction of ketones, aldehydes, and imines to their corresponding alcohols or amines. It enables selective reduction of functional groups without affecting sensitive moieties, achieving yields of 80–95% under mild conditions (room temperature, inert atmosphere). It also facilitates cyclization reactions in the synthesis of heterocycles (e.g., pyrrolidines, indolines) used in pharmaceutical intermediates.

Electrochemical Systems: Serves as a redox mediator in batteries, sensors, and electrocatalytic processes. Its low oxidation potential makes it suitable for organic radical batteries, where it acts as an anode material with a theoretical capacity of 110 mAh/g. In electrochemical sensors, it enhances electron transfer between analytes and electrodes, improving detection sensitivity for heavy metals and biomolecules.

Catalysis: Acts as a co-catalyst in polymerization reactions, particularly for the synthesis of polyolefins. When paired with zirconium-based catalysts, it promotes living polymerization, producing polymers with narrow molecular weight distributions (Mw/Mn = 1.1–1.3). It also catalyzes hydrogenation reactions of alkenes and alkynes, though its use is limited by its air sensitivity.

Materials Science: Serves as a precursor for cobalt-containing thin films and nanoparticles via chemical vapor deposition (CVD) and thermal decomposition. Films deposited from cobaltocene exhibit high purity and conductivity, finding applications in magnetic storage devices and catalytic coatings. Nanoparticles derived from cobaltocene (5–15 nm) show promise in magnetic resonance imaging (MRI) as contrast agents.

Radical Chemistry: Initiates radical polymerization reactions by generating organic radicals through electron transfer. It enables controlled radical polymerization of styrenes and acrylates, producing polymers with well-defined architectures (e.g., block copolymers) for advanced materials applications.

Advantages & Limitations

Cobaltocene offers unique benefits alongside practical challenges:

Reducing Power: Its strong reducing ability enables reactions that are difficult or impossible with milder reducing agents, expanding the scope of synthetic chemistry.

Selectivity: Preferentially reduces specific functional groups, minimizing side reactions in complex molecule synthesis.

Redox Tunability: Derivatives with substituted Cp rings (e.g., methyl, phenyl) can be synthesized to adjust redox potential, tailoring reactivity for specific applications.

Limitations: Air sensitivity increases handling complexity, requiring inert atmosphere techniques (glove boxes, Schlenk lines) and specialized storage. Higher cost compared to inorganic cobalt salts (e.g., CoCl₂) restricts large-scale use, and its toxicity (similar to other cobalt compounds) necessitates strict safety protocols.

Synthesis & Quality Control

Cobaltocene is produced via classic organometallic synthesis:

Salt Metathesis: Cyclopentadienyl sodium (NaC₅H₅) reacts with cobalt(II) chloride (CoCl₂) in THF under inert atmosphere: 2 NaC₅H₅ + CoCl₂ → Co(C₅H₅)₂ + 2 NaCl.

Purification: The crude product is purified by sublimation (80–100°C under vacuum) or recrystallization from hexane, yielding purity >97% for research grades and >99% for high-purity applications.

Quality control includes:

¹H NMR spectroscopy to confirm cyclopentadienyl proton environments and detect organic impurities.

Elemental analysis to verify cobalt content (30.1% theoretical).

Cyclic voltammetry to confirm redox potential (-0.9 V vs. Fc/Fc⁺) and electrochemical reversibility.

Safety & Handling

Due to its reactivity and toxicity, proper handling of cobaltocene is critical:

Toxicity: Classified as harmful if swallowed, inhaled, or absorbed through the skin. Cobalt ions may cause allergic reactions, and chronic exposure is linked to lung and heart issues.

Handling: Must be used in a glove box or under inert atmosphere with strict exclusion of air and moisture. Wear impermeable gloves (butyl rubber), a lab coat, and safety goggles. Avoid contact with oxidizers, which can cause rapid oxidation and potential fire.

Storage: Store in sealed ampoules or Schlenk flasks under argon or nitrogen, refrigerated (0–5°C) to slow decomposition.

Disposal: Classified as hazardous waste due to cobalt content. Dispose of in accordance with local regulations (e.g., EPA RCRA in the U.S.), with incineration requiring facilities equipped to capture heavy metals.

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

Packaging & Availability

Cobaltocene is available in forms designed for its air-sensitive nature:

Research Grade: 1g–50g ampoules sealed under argon, with purity >97% for laboratory synthesis.

High-Purity Grade: 10g–100g containers in inert atmosphere packaging, with purity >99% for electrochemical and CVD applications.

Solution Form: 0.1–0.5 M solutions in degassed toluene or THF (10mL–100mL), pre-packaged in sealed vials for immediate use.

Global production is limited to specialty organometallic manufacturers in Europe, the United States, and Japan, with annual capacity around 1 ton. Custom synthesis services are available for substituted cobaltocenes (e.g., ethylcyclopentadienyl derivatives) for tailored reactivity.

For technical specifications, handling guidelines, or custom formulations, contact our team specializing in air-sensitive organometallic compounds.

Health & Safety Information 

Signal Word: Warning 

Hazard Statements: H302-H315-H319-H335 

Hazard Codes: Xn 

Risk Codes: 22-36/37/38 

Safety Statements: 26-36 

RTECS Number: N/A 

Transport Information: N/A 

WGK Germany: 1

Chemical Identifiers

 Linear Formula: Li3PO4 

Pubchem CID: 165867 

MDL Number: MFCD00016187 

EC No.: 233-823-0 

IUPAC Name: trilithium phosphate 

Beilstein/Reaxys No.: N/A 

SMILES: [Li+].[Li+].[Li+].[O-]P([O-])([O-])=O 

InchI Identifier: InChI=1S/3Li.H3O4P/c;;;1-5(2,3)4/h;;;(H3,1,2,3,4)/q3*+1;/p-3 

InchI Key: TWQULNDIKKJZPH-UHFFFAOYSA-K

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.