Description

Ethylferrocene (CAS No. 1273-89-8) is an organometallic compound with the molecular formula C₁₂H₁₄Fe. It is a derivative of ferrocene, featuring an ethyl group substituted on one of the cyclopentadienyl rings. This compound is widely utilized in research and industrial applications due to its unique redox properties and stability. Ethylferrocene is a crystalline solid at room temperature and is soluble in organic solvents such as toluene, dichloromethane, and THF. It is commonly employed as a redox mediator, catalyst precursor, and in electrochemical studies. High-purity Ethylferrocene (>98%) is available for specialized synthetic and analytical applications.

Key Features:

• Molecular Weight: 190.09 g/mol
• Appearance: Orange to dark red crystalline solid
• Purity: ≥98% (GC)
• Storage Conditions: Store in a cool, dry place under inert atmosphere
• Hazard Information: Irritant (GHS07)

Properties

• CAS Number: 1273-89-8
• Complexity: 53.6
• IUPAC Name: ferrous;cyclopenta-1,3-diene;1-ethylcyclopenta-1,3-diene
• InChI: InChI=1S/C7H9.C5H5.Fe/c1-2-7-5-3-4-6-7;1-2-4-5-3-1;/h3-6H,2H2,1H3;1-5H;/q2*-1;+2
• InChI Key: FCNXGBYXGSKCDG-UHFFFAOYSA-N
• Exact Mass: 214.044486
• Molecular Formula: C12H14Fe
• Molecular Weight: 214.08
• SMILES: CCC1=CC=C[CH-]1.[CH-]1C=CC=C1.[Fe+2]
• Monoisotopic Mass: 214.044486
• Synonyms: Ferrocene, ethyl-, EINECS 215-056-3, DTXCID901783254, 215-056-3, 1273-89-8, chebi:30738, dtxsid60925841, ethylferrocene, cyclopenta-1,3-diene;2-ethylcyclopenta-1,3-diene;iron(2+), FCNXGBYXGSKCDG-UHFFFAOYSA-N, AKOS015914997, A805697, Q5404490, cyclopenta-1,3-diene;1-ethylcyclopenta-1,3-diene;iron(2+)

Application

Ethylferrocene is primarily used as a redox-active compound in electrochemical research, serving as a reference material in cyclic voltammetry studies. It is also employed as a catalyst precursor in organic synthesis, particularly in asymmetric transformations and polymerization reactions. Additionally, Ethylferrocene finds applications in material science for the development of conductive polymers and modified electrodes.

Safety and Hazards

GHS Hazard Statements

• H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
• H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]
• H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
• H373 (100%): May causes damage to organs through prolonged or repeated exposure [Warning Specific target organ toxicity, repeated exposure]
• H410 (100%): Very toxic to aquatic life with long lasting effects [Warning Hazardous to the aquatic environment, long-term hazard]

Precautionary Statements

• P203, P260, P261, P264, P270, P271, P273, P280, P301+P317, P304+P340, P317, P318, P319, P330, P391, P405, and P501

Hazard Classes and Categories

• Acute Tox. 4 (100%)
• Acute Tox. 4 (100%)
• Repr. 1B (100%)
• STOT RE 2 (100%)
• Aquatic Chronic 1 (100%)

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