8.03978

Ferrocene

for synthesis

• Synonym(s): Ferrocene, Dicyclopentadienyliron, Iron dicyclopentadienyl
• Linear Formula: (C₅H₅)₂Fe
• CAS Number: 102-54-5
• Molecular Weight: 186.03
• MDL number: MFCD00001427
• UNSPSC Code: 12352103
• EC Index Number: 203-039-3
• NACRES: NA.22

Properties

• vapor pressure: 3.4 hPa ( 100 °C)
• Quality Level: 200
• Assay: ≥98.0% (GC)
• form: crystals
• autoignition temp.: >150 °C
• potency: 1320 mg/kg LD₅₀, oral (Rat); >3000 mg/kg LD₅₀, skin (Rat)
• density: 1.49 g/cm³ at 20 °C
• bulk density: 500 kg/m³
• storage temp.: 2-30°C
• SMILES string: [Fe+2].[c-H]2cccc2.[c-H]1cccc1
• InChI: 1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2
• InChI key: KTWOOEGAPBSYNW-UHFFFAOYSA-N

Description

Application

• Spin and Charge Interactions between Nanographene Host and Ferrocene: This study investigates the charge transfer mechanisms between ferrocene molecules and carbon nanotubes (CNTs), exploring magnetic interactions and potential applications in electronic devices (A Suzuki et al., 2024).
• Development of Novel Immobilized Copper–Ligand Complex for Click Chemistry of Biomolecules: Research on coumarin-ferrocene triazoles for potential use in biochemical applications, highlighting small molecule interactions and novel click chemistry approaches (R Kandler et al., 2024).

Analysis Note

Assay (GC, area%): ≥ 98.0 % (a/a)
Identity (IR): passes test

Safety Information

• Pictograms: GHS02,GHS07,GHS08,GHS09
• Signal Word: Danger
• Hazard Statements: H228 - H302 + H332 - H360FD - H373 - H410
• Precautionary Statements: P202 - P210 - P273 - P301 + P312 - P304 + P340 + P312 - P308 + P313
• Hazard Classifications: Acute Tox. 4 Inhalation - Acute Tox. 4 Oral - Aquatic Chronic 1 - Flam. Sol. 1 - Repr. 1B - STOT RE 2 Inhalation
• Target Organs: Liver
• Storage Class Code: 4.1B - Flammable solid hazardous materials
• WGK: WGK 2
• Flash Point(F): Not applicable
• Flash Point(C): Not applicable