Ferrocene CAS 102-54-5

Ferrocene – Stable Organometallic Sandwich Complex for Catalysis, Fuel Additives, and Materials Science

Basic Information

• CAS Number: 102-54-5

• Molecular Formula: Fe(C₅H₅)₂

• Molecular Weight: 186.04 g/mol

• Synonyms: Iron dicyclopentadienyl, dicyclopentadienyliron

• Appearance: Orange crystalline powder

• Odor: Slight, characteristic (sometimes described as camphor-like)

• Melting Point: ~173–174°C

• Density: ~1.49 g/cm³ at 20°C

• Sublimation: Sublimes at elevated temperatures

• Solubility: Readily soluble in organic solvents (benzene, toluene, chloroform, etc.); practically insoluble in water

• Stability: Exceptional thermal and chemical stability; stable in air.

Overview
Ferrocene is the first discovered "sandwich" metallocene complex, in which an iron ion (Fe²⁺) is situated between two parallel cyclopentadienyl rings. Its discovery in 1951 was a landmark in the development of organometallic chemistry. The compound is remarkably stable, both thermally and chemically, making it a versatile building block for many applications.

Key Properties

• Excellent thermal stability – withstands high temperatures without decomposition.

• Reversible redox behavior – widely used as a reference standard in electrochemistry.

• Hydrophobic – insoluble in water, but highly soluble in nonpolar solvents.

• Readily functionalized – the cyclopentadienyl rings can be substituted to create a vast library of derivatives.

Applications

• Fuel additives: Used as an antiknock agent in gasoline, improving combustion efficiency and reducing engine deposits.

• Catalysis: Serves as a ligand precursor and catalyst component in various organic reactions, including polymerization, hydrogenation, and cross-coupling.

• Materials science: Precursor for ferrocene-functionalized polymers, thermosets, and coatings with enhanced thermal and oxidative stability.

• Electrochemistry: Used as an internal reference standard in cyclic voltammetry due to its well-behaved redox couple.

• Pharmaceutical and agrochemical synthesis: Building block for bioactive ferrocene derivatives with anticancer, antimicrobial, and antifungal properties.

• Chemical synthesis: Reagent and intermediate for the preparation of functional ferrocene compounds.

Safety and Handling

• Low toxicity; however, avoid inhalation of dust.

• Use appropriate personal protective equipment (gloves, safety goggles, dust mask) when handling.

• Store in a cool, dry, well-ventilated area, away from strong oxidizers.

• Keep containers tightly sealed to prevent contamination and moisture absorption.

Packaging
Available in 100 g, 500 g, 1 kg, 5 kg, and 25 kg containers. Custom packaging upon request.

Quality Assurance
Each batch is tested for purity (by HPLC), melting point, and moisture content to ensure consistent quality.