Iron(III) pyrophosphate - Fe:24%-26% , CAS No.10058-44-3

CAS: 10058-44-3 Cat. No.: I121605 Molecular Weight: 745.21 EC Number: 233-190-0 PubChem CID: 24877

GRADE & PURITY Fe:24%-26%

Synonyms

iron(3+) diphosphate (4/3) | CCRIS 1900 | FERRIC PYROPHOSPHATE [MI] | Diphosphoric acid iron(3+) salt (3:4) | Diphosphoric acid, iron(3+) salt (3:4) | Iron (III) pyrophosphate | iron(3+) diphosphate | Iron(III) diphosphate | Sunactive Fe | Q9207442 | Ferr

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

iron(3+) diphosphate (4/3) | CCRIS 1900 | FERRIC PYROPHOSPHATE [MI] | Diphosphoric acid iron(3+) salt (3:4) | Diphosphoric acid, iron(3+) salt (3:4) | Iron (III) pyrophosphate | iron(3+) diphosphate | Iron(III) diphosphate | Sunactive Fe | Q9207442 | Ferr

Specifications & Purity

Fe:24%-26%

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 504753277
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504753277
• Canonical Smiles: [O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3]
• IUPAC Name: iron(3+);phosphonato phosphate
• InChIKey: CADNYOZXMIKYPR-UHFFFAOYSA-B
• INCHI: 1S/4Fe.3H4O7P2/c;;;;3*1-8(2,3)7-9(4,5)6/h;;;;3*(H2,1,2,3)(H2,4,5,6)/q4*+3;;;/p-12
• Isomeric SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[O-]P(=O)([O-])OP(=O)([O-])[O-].[Fe+3].[Fe+3].[Fe+3].[Fe+3]
• WGK Germany: 3
• PubChem CID: 24877
• Molecular Weight: 745.21

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Transition metal oxoanionic compounds
      • Subclass Transition metal pyrophosphates

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Transition metal oxoanionic compounds
• Subclass: Transition metal pyrophosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Transition metal pyrophosphates
• Alternative Parents: Inorganic salts Inorganic oxides
• Molecular Framework: Not available
• Substituents: Transition metal pyrophosphate - Inorganic oxide - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as transition metal pyrophosphates. These are inorganic compounds in which the largest oxoanion is pyrophosphate, and in which the heaviest atom not in an oxoanion is a transition metal.
• 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

• Molecular Weight: 745.210 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 21
• Rotatable Bond Count: 0
• Exact Mass: 745.476 Da
• Monoisotopic Mass: 745.476 Da
• Topological Polar Surface Area: 407.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 124.000
• 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: 7

XLogP3