Calcium oxalate - ≥99.9% metals basis , CAS No.563-72-4

CAS: 563-72-4 Cat. No.: C465788 Molecular Weight: 128.10 EC Number: 209-260-1

GRADE & PURITY ≥99.9% metals basis

Synonyms

Calciumoxalate | UNII-2612HC57YE | Calcium oxalate (1:1) | CHEBI:60579 | NCGC00260294-01 | ETHANEDIOIC ACID CALCIUM SALT | Ethanedioic acid, calcium salt | Ethanedioic acid, calcium salt (1:1) | SCHEMBL43709 | CALCIUM OXALATE | AKOS015837658 | C17478 | To

Storage

Argon charged,Room temperature

Shipped In

Normal

Overview

Purity based on trace metal analysisCalcium oxalate (CaC2O4) belongs to the class of oxalates that are associated with soils and lead litter. It forms crystals that are free-living, pathogenic, and plant symbiotic fungi. It is formed by the re-precipitation of calcium as the oxalate.

Specifications

Synonyms

Calciumoxalate | UNII-2612HC57YE | Calcium oxalate (1:1) | CHEBI:60579 | NCGC00260294-01 | ETHANEDIOIC ACID CALCIUM SALT | Ethanedioic acid, calcium salt | Ethanedioic acid, calcium salt (1:1) | SCHEMBL43709 | CALCIUM OXALATE | AKOS015837658 | C17478 | To

Specifications & Purity

≥99.9% metals basis

Storage

Argon charged, Room temperature

Shipped In

Normal

Purity

≥99.9% metals basis

Names and Identifiers

• Canonical Smiles: C(=O)(C(=O)[O-])[O-].[Ca+2]
• IUPAC Name: calcium;oxalate
• InChIKey: QXDMQSPYEZFLGF-UHFFFAOYSA-L
• INCHI: 1S/C2H2O4.Ca/c3-1(4)2(5)6;/h(H,3,4)(H,5,6);/q;+2/p-2
• Isomeric SMILES: C(=O)(C(=O)[O-])[O-].[Ca+2]
• Molecular Weight: 128.10
• Reaxy-Rn: 3915709
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3915709&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Carboxylic acids and derivatives
      • Subclass Dicarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Dicarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Dicarboxylic acids and derivatives
• Alternative Parents: Carboxylic acid salts Organic calcium salts Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Dicarboxylic acid or derivatives - Carboxylic acid salt - Organic calcium salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as dicarboxylic acids and derivatives. These are organic compounds containing exactly two carboxylic acid groups.
• External Descriptors: organic calcium salt

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

• Sensitivity: Moisture sensitive
• Molecular Weight: 128.100 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 127.942 Da
• Monoisotopic Mass: 127.942 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 60.500
• 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

References

1. Chunhui Wang, Shuangshuang Zhao, Wei Shen, Xiaoming Xi, Lishan Yang, Lixiong Bai, Yahui Yang, Chenghuan Huang, Jian Zhu, Youyuan Zhou, Yitai Qian, Zhongliang Tian, Yanqing Lai, Liqiang Xu.  (2022)  Preferential growth of HT-LiCo1-xAlxO2 cathode micro-bricks via an intermediate-facilitated solid-solid-gas reaction.  JOURNAL OF POWER SOURCES,      [PMID:] [10.1016/j.jpowsour.2022.231700]

2. Yanyan Wang, Kaikai Zhang, Shengzhe Shi, Qingqing Wang, Chun Wang, Sheng Liu.  (2024)  Measurement of particle size in suspension based on VIS-NIR-RGB sensors and gradient-boosted regression tree.  MEASUREMENT,      [PMID:] [10.1016/j.measurement.2024.115570]

3. Zhiqiang Hao, Xiaoyan Shi, Wenqing Zhu, Zhuo Yang, Xunzhu Zhou, Chenchen Wang, Lin Li, Weibo Hua, Chang-Qi Ma, Shulei Chou.  (2024)  Boosting Multielectron Reaction Stability of Sodium Vanadium Phosphate by High-Entropy Substitution.  ACS Nano,      [PMID:38517038] [10.1021/acsnano.3c09519]

4. Ke Song, Liyan Xue, Minzhong Huang, Kaixian Wang, Zhiyi Wang, Haiying Xin, Fan Yang, Fengzhi Tan, Heng Chen.  (2025)  A novel (Ca0.2Nd0.2Gd0.2Ho0.2Bi0.2) (Fe0.9Ti0.1)O3 high-entropy ceramic protective material with electromagnetic wave absorption and (n, γ) radiation shielding performance.  CERAMICS INTERNATIONAL,      [PMID:] [10.1016/j.ceramint.2025.04.380]