Iron(III) phosphate tetrahydrate - ≥97% , CAS No.31096-47-6

CAS: 31096-47-6 Cat. No.: I487009 Molecular Weight: 222.88 PubChem CID: 16212846

GRADE & PURITY ≥97%

Synonyms

Ferric phosphate tetrahydrate

Storage

Room temperature

Specifications

Synonyms

Ferric phosphate tetrahydrate

Specifications & Purity

≥97%

Storage

Room temperature

Purity

≥97%

Names and Identifiers

• Canonical Smiles: O.O.O.O.[O-]P(=O)([O-])[O-].[Fe+3]
• InChIKey: RTOYJIFECJCKIK-UHFFFAOYSA-K
• INCHI: 1S/Fe.H3O4P.4H2O/c;1-5(2,3)4;;;;/h;(H3,1,2,3,4);4*1H2/q+3;;;;;/p-3
• Isomeric SMILES: O.O.O.O.[O-]P(=O)([O-])[O-].[Fe+3]
• PubChem CID: 16212846
• Molecular Weight: 222.88

Taxonomic Classification

Taxonomy Tree

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

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

• Flash Point(°F): Not applicable
• Flash Point(°C): Not applicable
• Molecular Weight: 222.880 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 8
• Rotatable Bond Count: 0
• Exact Mass: 222.931 Da
• Monoisotopic Mass: 222.931 Da
• Topological Polar Surface Area: 90.300 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 36.800
• 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: 6

XLogP3

References

1. Siquan Xu, Donghui Pan, Yuanfeng Wu, Xianghai Song, Lijing Gao, Wenqi Li, Lalitendu Das, Guomin Xiao.  (2018)  Efficient production of furfural from xylose and wheat straw by bifunctional chromium phosphate catalyst in biphasic systems.  FUEL PROCESSING TECHNOLOGY,      [PMID:] [10.1016/j.fuproc.2018.04.005]

2. Cong Zhang, Zhipeng Zhang, Shuang Zhang, Yifeng Chen, Dunjie Li, Yongmei Li.  (2025)  Methionine-based insights into C-S-Fe-P transformations in anaerobic co-digestion of sludge containing iron–phosphorus compounds.  WATER RESEARCH,      [PMID:40902385] [10.1016/j.watres.2025.124458]

3. Mengge Wang, Chenyu Gao, Liping Zhai, Xinyuan Huang, Yihua Zhang, Yuejie Ai, Ziwen Du, Jie Jin, Ke Sun.  (2026)  Redox Oscillations and Pyrogenic Carbon Synergistically Enhance Phosphorus Release from Ferric Iron-Phosphates.  ENVIRONMENTAL SCIENCE & TECHNOLOGY,      [PMID:] [10.1021/acs.est.5c18950]