Barium pyrophosphate - ≥99.9% metals basis, powder,≥200mesh , CAS No.13466-21-2

CAS: 13466-21-2 Cat. No.: B476526 Molecular Weight: 448.6 EC Number: 236-716-7

GRADE & PURITY ≥99.9% metals basis, powder,≥200mesh

Synonyms

barium(2+);phosphonato phosphate | Bariumpyrophosphat | Dibarium diphosphate | Ba2P2O7 | Q19274663 | DTXSID00889610 | EINECS 236-716-7 | Barium pyrophosphate | Diphosphoric acid, barium salt (1:2) | BARIUM PHOSPHATE (PYRO)

Storage

Room temperature

Overview

Description

Ba2P2O7is a promising phosphor host material, showing different emission properties upon doping with rare earth and other elements. Bi doped Ba2P2O7crystals exhibit broadband NIR photoluminescence.

Specifications

Synonyms

barium(2+);phosphonato phosphate | Bariumpyrophosphat | Dibarium diphosphate | Ba2P2O7 | Q19274663 | DTXSID00889610 | EINECS 236-716-7 | Barium pyrophosphate | Diphosphoric acid, barium salt (1:2) | BARIUM PHOSPHATE (PYRO)

Specifications & Purity

≥99.9% metals basis, powder, ≥200mesh

Storage

Room temperature

Purity

≥99.9% metals basis

Names and Identifiers

• Canonical Smiles: [O-]P(=O)([O-])OP(=O)([O-])[O-].[Ba+2].[Ba+2]
• IUPAC Name: barium(2+);phosphonato phosphate
• InChIKey: RCUAPGYXYWSYKO-UHFFFAOYSA-J
• INCHI: 1S/2Ba.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4
• Isomeric SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-].[Ba+2].[Ba+2]
• UN Number: 1564
• Molecular Weight: 448.6
• Reaxy-Rn: 13386937
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13386937&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Class: Alkaline earth metal oxoanionic compounds
• Subclass: Alkaline earth metal pyrophosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkaline earth metal pyrophosphates
• Alternative Parents: Inorganic salts Inorganic oxides
• Molecular Framework: Not available
• Substituents: Alkaline earth metal pyrophosphate - Inorganic oxide - Inorganic salt
• Description: This compound belongs to the class of inorganic compounds known as alkaline earth metal pyrophosphates. These are inorganic compounds in which the largest oxoanion is pyrophosphate, and in which the heaviest atom not in an oxoanion is an alkaline earth 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: 448.600 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 449.722 Da
• Monoisotopic Mass: 449.722 Da
• Topological Polar Surface Area: 136.000 Ų
• Heavy Atom Count: 11
• 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: 3

XLogP3