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

CAS: 7790-76-3 Cat. No.: C128782 Molecular Weight: 254.10 EC Number: 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

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

Specifications & Purity

≥99.9% metals basis

Storage

Room temperature

Shipped In

Normal

Purity

≥99.9% metals basis

Names and Identifiers

• Canonical Smiles: [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
• Isomeric SMILES: [O-]P(=O)([O-])OP(=O)([O-])[O-].[Ca+2].[Ca+2]
• WGK Germany: 3
• Molecular Weight: 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
    • 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 oxides Inorganic calcium salts
• Molecular Framework: Not available
• Substituents: Alkaline earth metal pyrophosphate - Inorganic calcium salt - 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: 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

Chemical and Physical Properties

• Melt Point(°C): 1353°C
• Molecular Weight: 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

References

1. Yu Li, Wei Jiang, Nanfang Nie, Jiaqi Xu, Xiaozhao Wang, Junwen Zhang, Jiahuan Guan, Chengcheng Zhu, Cheng Zhang, Ying Gu, Xiaoyi Chen, Shasha Yao, Zi Yin, Bingbing Wu, Hongwei Ouyang, Xiaohui Zou.  (2023)  Size- and Dose-Dependent Body-Wide Organ Transcriptomic Responses to Calcium Phosphate Nanomaterials.  ACS Applied Materials & Interfaces,      [PMID:38018117] [10.1021/acsami.3c10301]

2. Xiaoxiong Jin, Wanying Wang, Hui Liu, Jing Zhao, Pengfei Li, Aoting Li, Ziyuan Song.  (2025)  Enhanced Bone Targeting of Poly(l-glutamic acid)s through Cationic or Aromatic Substitution.  BIOMACROMOLECULES,      [PMID:39977118] [10.1021/acs.biomac.4c01714]