Ferrocene - ≥99% , CAS No.102-54-5

CAS: 102-54-5 Cat. No.: F108390 Fórmula: FeC₁₀H₁₀ Peso molecular: 186.03 Número EC: 203-039-3 PubChem CID: 7611

GRADE & PURITY ≥99%

Synonyms

U96PKG90JQ | UNII-U96PKG90JQ | CCRIS 3195 | EINECS 203-039-3 | FERROCENE [HSDB] | AI3-23119 | FERROCENE [MI] | Bis( cyclopentadienyl)eisen(II) | Q/TY.J08.19-2022 | DTXCID105326 | Q211972 | Iron, bis(eta5-2,4-cyclopentadien-1-yl)- | Fe(C5H5)2 | NCGC0026006

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Descripción general

A source of ferrocene derivatives; the derived ferrocenium salts find use as mild oxidants
Synthetic reagent used as as a source of useful ferrocene derivatives, including most substituted ferrocenes and precursor of substituted cyclopentadienes and cyclopentanes; the derived ferrocenium salts find use as mild oxidants; replacement of one ring by arenes yields cationic complexes which undergo nucleophilic addition and substitution at the arene ring, leading to substituted arenes.

Specifications

Sinónimos

U96PKG90JQ | UNII-U96PKG90JQ | CCRIS 3195 | EINECS 203-039-3 | FERROCENE [HSDB] | AI3-23119 | FERROCENE [MI] | Bis( cyclopentadienyl)eisen(II) | Q/TY.J08.19-2022 | DTXCID105326 | Q211972 | Iron, bis(eta5-2,4-cyclopentadien-1-yl)- | Fe(C5H5)2 | NCGC0026006

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

Pubchem Sid

504751406

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504751406

Sonrisas canónicas

[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]

IUPAC Name

cyclopenta-1,3-diene;iron(2+)

InChIKey

KTWOOEGAPBSYNW-UHFFFAOYSA-N

INCHI

1S/2C5H5.Fe/c2*1-2-4-5-3-1;/h2*1-5H;/q2*-1;+2

Isómeros SMILES

[CH-]1C=CC=C1.[CH-]1C=CC=C1.[Fe+2]

WGK Alemania

2

RTECS

LK0700000

PubChem CID

7611

Número ONU

1325

Grupo de embalaje

II

Peso molecular

186.03

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Hydrocarbons
    • Clase Aromatic hydrocarbons

• Kingdom: Organic compounds
• Superclass: Hydrocarbons
• Clase: Aromatic hydrocarbons
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Aromatic hydrocarbons
• Alternative Parents: Unsaturated hydrocarbons Organic salts Hydrocarbon derivatives
• Molecular Framework: Not available
• Substituents: Aromatic hydrocarbon - Unsaturated hydrocarbon - Hydrocarbon derivative - Organic salt - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as aromatic hydrocarbons. These are aromatic compounds that are made up of carbon and hydrogen atoms only.
• External Descriptors: Not available

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Propiedades químicas y físicas

• Solubilidad: Insoluble in water. Soluble in organic solvents.
• Sensibilidad: Air, moisture and light sensitive
• Punto de ebullición (°C): 249°C
• Punto de fusión (°C): 173-174°C
• Peso molecular: 186.030 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 186.013 Da
• Monoisotopic Mass: 186.013 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 11.600
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3