Iron oxalate dihydrate - PrimorTrace™, ≥99.99% metals basis , CAS No.6047-25-2

CAS: 6047-25-2 Cat. No.: I104329 Molecular Weight: 179.89 EC Number: 611-981-5 PubChem CID: 516788

GRADE & PURITY PrimorTrace™, ≥99.99% metals basis

Synonyms

AKOS025243410 | Iron, diaqua(ethanedioato(2-)-O,O')- | FT-0627293 | DTXSID90975879 | Iron, diaqua(ethanedioato(2-)-kappaO1,kappaO2)-, (T-4)- | IRON OXALATE HYDRATE (FEC2O4.2H2O) | Ferrous oxalate dihydrate | IRON OXALATE (FEC2O4) DIHYDRATE | IRON, DIAQUA(

Storage

Desiccated,Room temperature

Shipped In

Normal

Specifications

Synonyms

AKOS025243410 | Iron, diaqua(ethanedioato(2-)-O, O')- | FT-0627293 | DTXSID90975879 | Iron, diaqua(ethanedioato(2-)-kappaO1, kappaO2)-, (T-4)- | IRON OXALATE HYDRATE (FEC2O4.2H2O) | Ferrous oxalate dihydrate | IRON OXALATE (FEC2O4) DIHYDRATE | IRON, DIAQUA(

Specifications & Purity

PrimorTrace™, ≥99.99% metals basis

Storage

Desiccated, Room temperature

Shipped In

Normal

Grade

PrimorTrace™

Purity

≥99.99% metals basis

Names and Identifiers

• Canonical Smiles: [H]O[H].[H]O[H].O=C1O[Fe]OC1=O
• IUPAC Name: iron(2+);oxalate;dihydrate
• InChIKey: NPLZZSLZTJVZSX-UHFFFAOYSA-L
• INCHI: 1S/C2H2O4.Fe.2H2O/c3-1(4)2(5)6;;;/h(H,3,4)(H,5,6);;2*1H2/q;+2;;/p-2
• Isomeric SMILES: C(=O)(C(=O)[O-])[O-].O.O.[Fe+2]
• PubChem CID: 516788
• Molecular Weight: 179.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid salts Organic transition metal salts Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid salt - Organic transition metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• 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: Hygroscopic.
• Melt Point(°C): 160℃
• Molecular Weight: 179.890 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 179.936 Da
• Monoisotopic Mass: 179.936 Da
• Topological Polar Surface Area: 82.300 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 60.500
• 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

XLogP3

References

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