Calcium pyrophosphate - ≥99.9% metals basis , CAS No.7790-76-3

CAS: 7790-76-3 Cat. No.: C128782 Summenformel: Ca₂P₂O₇ Molekulargewicht: 254.10 EG-Nummer: 232-221-5

GRADE & PURITY ≥99.9% metals basis

Synonyms

HSDB 1435 | CALCIUMPYROPHOSPHATE | CALCIUM PYROPHOSPHATE [MI] | MFCD00015983 | Calcium pyrophosphate (99.95%-Ca) | CALCIUM PYROPHOSPHATE [INCI] | Diphosphoric acid, calcium salt | Calcium pyrophosphate (Ca2P2O7) | Ca2P2O7 | 1264298-55-6 | calcium phosphon

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

HSDB 1435 | CALCIUMPYROPHOSPHATE | CALCIUM PYROPHOSPHATE [MI] | MFCD00015983 | Calcium pyrophosphate (99.95%-Ca) | CALCIUM PYROPHOSPHATE [INCI] | Diphosphoric acid, calcium salt | Calcium pyrophosphate (Ca2P2O7) | Ca2P2O7 | 1264298-55-6 | calcium phosphon

Spezifikationen & Reinheit

≥99.9% metals basis

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥99.9% metals basis

Namen und Kennungen

Kanonisches Lächeln

[O-]P(=O)([O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2]

IUPAC Name

dicalcium;phosphonato phosphate

InChIKey

JUNWLZAGQLJVLR-UHFFFAOYSA-J

INCHI

1S/2Ca.H4O7P2/c;;1-8(2,3)7-9(4,5)6/h;;(H2,1,2,3)(H2,4,5,6)/q2*+2;/p-4

Isomere SMILES

[O-]P(=O)([O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2]

WGK Deutschland

3

Molekulargewicht

254.10

Reaxy-Rn

11329568

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=11329568&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Inorganic compounds
• Superclass: Mixed metal/non-metal compounds
• Klasse: Alkaline earth metal oxoanionic compounds
• Subclass: Alkaline earth metal pyrophosphates
• Intermediate Tree Nodes: Not available
• Direct Parent: Alkaline earth metal pyrophosphates
• Alternative Parents: Inorganic oxides Inorganic calcium salts
• Molecular Framework: Not available
• Substituents: Alkaline earth metal pyrophosphate - Inorganic calcium salt - Inorganic oxide - Inorganic salt
• Beschreibung: 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: calcium phosphate

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

Chemische und physikalische Eigenschaften

• Schmelzpunkt (°C): 1353°C
• Molekulargewicht: 254.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 0
• Exact Mass: 253.837 Da
• Monoisotopic Mass: 253.837 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