593591

(1-Chloro-2-formylvinyl)ferrocene

• Synonym(s): (1-Chloro-3-oxo-1-propenyl)ferrocene, 3-Ferrocenyl-3-chloropropenal, [(1-Chloro-2-formylvinyl)cyclopentadienyl]cyclopentadienyliron, ß-Ferrocenyl-ß-chloroacrolein
• Empirical Formula (Hill Notation): C₁₃H₁₁ClFeO
• CAS Number: 12085-68-6
• Molecular Weight: 274.52
• MDL number: MFCD03416839
• UNSPSC Code: 12352300
• PubChem Substance ID: 24881457

Properties

• form: solid
• reaction suitability: core: iron; reagent type: catalyst
• mp: 74-78 °C (lit.)
• SMILES string: [Fe].[CH]1[CH][CH][CH][CH]1.ClC(=CC=O)[C]2[CH][CH][CH][CH]2
• InChI: 1S/C8H6ClO.C5H5.Fe/c9-8(5-6-10)7-3-1-2-4-7;1-2-4-5-3-1;/h1-6H;1-5H;
• InChI key: RQRKVVWRCJBKBO-UHFFFAOYSA-N

Description

Application

Reactant for synthesis of:

• Ferrocene-based hydrazones and pyrazoles
• Complexes with linked ferrocene moieties

Reactant for:

• Converstion of mathyl ketones into terminal acetylenes
• Addition and cycloaddition reaction kinetics of substituted ferrocenylketenes
• Reaction with phenylenediamine in the presence of nickel diacetate

Safety Information

• Storage Class: 13 - Non Combustible Solids
• wgk_germany: WGK 3
• flash_point_f: Not applicable
• flash_point_c: Not applicable
• ppe: Eyeshields, Gloves, type N95 (US)