Iron(III) ethoxide - ≥99.5% metals basis , CAS No.5058-42-4

CAS: 5058-42-4 Cat. No.: I639266 Molecular Weight: 191.03 EC Number: 225-760-2 PubChem CID: 6452222

GRADE & PURITY ≥99.5% metals basis

Synonyms

Iron(3+) ethanolate|5058-42-4|IRON(III) ETHOXIDE|ethanolate;iron(3+)|EINECS 225-760-2|DTXSID20198599|AKOS025295391|FT-0750133

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

Iron(3+) ethanolate | 5058-42-4 | IRON(III) ETHOXIDE | ethanolate;iron(3+) | EINECS 225-760-2 | DTXSID20198599 | AKOS025295391 | FT-0750133

Specifications & Purity

≥99.5% metals basis

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥99.5% metals basis

Names and Identifiers

• Canonical Smiles: CC[O-].CC[O-].CC[O-].[Fe+3]
• IUPAC Name: ethanolate;iron(3+)
• InChIKey: JTPUGUWXHGEEHW-UHFFFAOYSA-N
• INCHI: 1S/3C2H5O.Fe/c3*1-2-3;/h3*2H2,1H3;/q3*-1;+3
• Isomeric SMILES: CC[O-].CC[O-].CC[O-].[Fe+3]
• PubChem CID: 6452222
• Molecular Weight: 191.03

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic salts
    • Class Organic metal salts
      • Subclass Organic transition metal salts

• Kingdom: Organic compounds
• Superclass: Organic salts
• Class: Organic metal salts
• Subclass: Organic transition metal salts
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic transition metal salts
• Alternative Parents: Organic zwitterions Organic oxides Hydrocarbon derivatives Alkoxides
• Molecular Framework: Not available
• Substituents: Organic transition metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic zwitterion - Alkoxide - Organooxygen compound - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic transition metal salts. These are organic salt compounds containing a transition metal atom in its ionic form.
• 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

Chemical and Physical Properties

• Sensitivity: air sensitive
• Boil Point(°C): 155° C at 0.1 mmHg
• Melt Point(°C): 120° C
• Molecular Weight: 191.030 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 191.037 Da
• Monoisotopic Mass: 191.037 Da
• Topological Polar Surface Area: 69.200 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 2.800
• 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: 4

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