Aluminium dihydrogen triphosphate - P2O5 content 30-40% , CAS No.13939-25-8

CAS: 13939-25-8 Cat. No.: A302800 Molecular Weight: 281.91 EC Number: 237-714-9

GRADE & PURITY P2O5 content 30-40%

Synonyms

Triphosphoric acid, aluminum salt (1:1)|13939-25-8|Aluminium dihydrogen triphosphate|A4V295504Y|aluminum;[[hydroxy(oxido)phosphoryl]oxy-oxidophosphoryl] hydrogen phosphate|Aluminiumdihydrogentriphosphate|UNII-A4V295504Y|ALUMINUM TRIPHOSPHATE [INCI]|EINECS

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

Triphosphoric acid, aluminum salt (1:1) | 13939-25-8 | Aluminium dihydrogen triphosphate | A4V295504Y | aluminum;[[hydroxy(oxido)phosphoryl]oxy-oxidophosphoryl] hydrogen phosphate | Aluminiumdihydrogentriphosphate | UNII-A4V295504Y | ALUMINUM TRIPHOSPHATE [INCI] | EINECS

Specifications & Purity

P2O5 content 30-40%

Storage

Room temperature

Shipped In

Normal

Names and Identifiers

• Pubchem Sid: 488196437
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488196437
• Canonical Smiles: OP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-].[Al+3]
• IUPAC Name: aluminum;[[hydroxy(oxido)phosphoryl]oxy-oxidophosphoryl] hydrogen phosphate
• InChIKey: QPLNUHHRGZVCLQ-UHFFFAOYSA-K
• INCHI: 1S/Al.H5O10P3/c;1-11(2,3)9-13(7,8)10-12(4,5)6/h;(H,7,8)(H2,1,2,3)(H2,4,5,6)/q+3;/p-3
• Isomeric SMILES: OP(=O)([O-])OP(=O)([O-])OP(=O)(O)[O-].[Al+3]
• Molecular Weight: 281.91
• Reaxy-Rn: 16082105
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=16082105&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Post-transition metal oxoanionic compounds
• Subclass: Post-transition metal phosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Post-transition metal phosphates
• Alternative Parents: Post-transition metal salts Inorganic salts Inorganic oxides
• Molecular Framework: Not available
• Substituents: Post-transition metal phosphate - Inorganic post-transition metal salt - Inorganic oxide - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as post-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 post-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: 281.910 g/mol
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 281.868 Da
• Monoisotopic Mass: 281.868 Da
• Topological Polar Surface Area: 179.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 259.000
• 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: 2

XLogP3