Sodium fluoroaluminate - AR, ≥99% , CAS No.13775-53-6

CAS: 13775-53-6 Cat. No.: S111598 Molecular Weight: 209.94 EC Number: 237-410-6 PubChem CID: 16693908

GRADE & PURITY AR, ≥99%

Synonyms

Cryolite (Na3(AlF6)) | FT-0703499 | J-008762 | CHEBI:39289 | Cryocide | trisodium (OC-6-11)-hexafluoroaluminate(3-) | trisodium hexakis(fluoranyl)aluminum(3-) | Aluminum sodium fluoride | DTXSID90872955 | Na3AlF6 | trisodium hexafluoridoaluminate | CRYOLI

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Cryolite (Na3(AlF6)) | FT-0703499 | J-008762 | CHEBI:39289 | Cryocide | trisodium (OC-6-11)-hexafluoroaluminate(3-) | trisodium hexakis(fluoranyl)aluminum(3-) | Aluminum sodium fluoride | DTXSID90872955 | Na3AlF6 | trisodium hexafluoridoaluminate | CRYOLI

Specifications & Purity

AR, ≥99%

Storage

Room temperature

Shipped In

Normal

Grade

AR

Purity

≥99%

Names and Identifiers

• Canonical Smiles: F[Al-3](F)(F)(F)(F)F.[Na+].[Na+].[Na+]
• IUPAC Name: trisodium;hexafluoroaluminum(3-)
• InChIKey: REHXRBDMVPYGJX-UHFFFAOYSA-H
• INCHI: 1S/Al.6FH.3Na/h;6*1H;;;/q+3;;;;;;;3*+1/p-6
• Isomeric SMILES: F[Al-3](F)(F)(F)(F)F.[Na+].[Na+].[Na+]
• WGK Germany: 3
• RTECS: BD0075000
• PubChem CID: 16693908
• Molecular Weight: 209.94

Taxonomic Classification

Taxonomy Tree

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

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

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

Associated Targets(Human)

CA2 Tclin Carbonic anhydrase II (17698 Activities)

Discover Target: CA2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA1 Tclin Carbonic anhydrase I (13240 Activities)

Discover Target: CA1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

CA5A Tclin Carbonic anhydrase VA (1168 Activities)

Discover Target: CA5A

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Associated Targets(non-human)

CA4 Carbonic anhydrase IV (1713 Activities)

Discover Target: CA4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Melt Point(°C): 1000°C
• Molecular Weight: 209.941 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 209.941 Da
• Monoisotopic Mass: 209.941 Da
• Topological Polar Surface Area: 0.000 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 62.700
• 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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13. Qiao Yun-ze, Hua Yu, Wu Guang-xin, Shi Chen-yang, Huang Ying-de, Yang Wen-jie.  (2025)  Electrochemical behavior of NiCu anode in cryolite and the synergistic effect of Al2O3 on corrosion resistance.  JOURNAL OF SOLID STATE ELECTROCHEMISTRY,      [PMID:] [10.1007/s10008-025-06481-0]

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