Iron fluoride trihydrate , CAS No.15469-38-2

CAS: 15469-38-2 Cat. No.: I167534 Molecular Weight: 166.89 EC Number: 629-114-4 PubChem CID: 44890702

Synonyms

Iron(III) fluoride trihydrate|15469-38-2|Iron(III)fluoridetri hydrate|Iron(iii)fluoride trihydrate|MFCD00149718|trifluoroiron;trihydrate|Iron(III) fluoride, trihydrate|iron(3+);trifluoride;trihydrate|Iron(III) fluoride trihydrate, 98%|AKOS025310264

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Iron(III) fluoride trihydrate | 15469-38-2 | Iron(III)fluoridetri hydrate | Iron(iii)fluoride trihydrate | MFCD00149718 | trifluoroiron;trihydrate | Iron(III) fluoride, trihydrate | iron(3+);trifluoride;trihydrate | Iron(III) fluoride trihydrate, 98% | AKOS025310264

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Canonical Smiles: O.O.O.F[Fe](F)F
• IUPAC Name: trifluoroiron;trihydrate
• InChIKey: XILAUHRDSUSGOG-UHFFFAOYSA-K
• INCHI: 1S/3FH.Fe.3H2O/h3*1H;;3*1H2/q;;;+3;;;/p-3
• Isomeric SMILES: O.O.O.F[Fe](F)F
• PubChem CID: 44890702
• Molecular Weight: 166.89

Taxonomic Classification

Taxonomy Tree

• Kingdom Inorganic compounds
  • Superclass Mixed metal/non-metal compounds
    • Class Transition metal salts
      • Subclass Transition metal fluorides

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

• Solubility: Slightly soluble in water. Sparingly soluble in alcohol,ether, benzene
• Molecular Weight: 166.890 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 0
• Exact Mass: 166.962 Da
• Monoisotopic Mass: 166.962 Da
• Topological Polar Surface Area: 3.000 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 8.000
• 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: 4

XLogP3

References

1. Le Xiang, Daochuan Jiang, Yue Gao, Chaofeng Zhang, Xiaodi Ren, Lingyun Zhu, Shan Gao, Xiaowen Zhan.  (2023)  Self-Formed Fluorinated Interphase with Fe Valence Gradient for Dendrite-Free Solid-State Sodium-Metal Batteries.  ADVANCED FUNCTIONAL MATERIALS,      [PMID:] [10.1002/adfm.202301670]

2. Yang Wang, Qikun Wang, Qibing Chang, Yiming Wang, Yahui Zhao, Xia Wang, Yongqing Wang.  (2019)  Chromatic study on the coloration mechanism of iron zircon pigment.  MATERIALS CHEMISTRY AND PHYSICS,      [PMID:] [10.1016/j.matchemphys.2019.121740]

3. Tingting Chen, Hanghui Liu, Mingqing Sun, Bowen Yang, Peixiang Ning, Xiaohui Zhu, Serguei V. Savilov, Sergey M. Aldoshin, Jing Xu, Hui Xia.  (2024)  Oxygen-Doped FeF3 Nanosheets Prepared by the Liquid-Phase Exfoliation Method for Lithium Storage.  ENERGY & FUELS,      [PMID:] [10.1021/acs.energyfuels.4c02072]

4. Guoquan Na, Wen-Gang Cui, Hangyan Shi, Zhenglong Li, Fan Gao, Xingqiang Wang, Ke Wang, Yong Gao, Yaxiong Yang, Zichao Shen, Yanxia Liu, Jian Miao, Hongge Pan.  (2025)  In Situ Generation and Stabilization of Multiple Catalysts by Introducing a Graphene-Supported FeF2/FeOX Additive for Enhancing the Hydrogen Storage of LiBH4.  ACS Applied Energy Materials,      [PMID:] [10.1021/acsaem.4c02891]