Zinc citrate tribasic dihydrate - ≥98% , CAS No.5990-32-9

CAS: 5990-32-9 Cat. No.: Z112493 Molecular Weight: 610.40 EC Number: 620-299-7

GRADE & PURITY ≥98%

Synonyms

1,2,3-Propanetricarboxylic acid, 2-hydroxy-, zinc salt, hydrate (2:3:2) | ZINC CITRATE DIHYDRATE [WHO-DD] | Zinc citrate tribasic dihydrate | DTXSID40583827 | AKOS025295521 | Q27231477 | 021IBV57IL | Zinc citrate dihydrate | 1,2,3-Propanetricarboxylic aci

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Synonyms

1, 2, 3-Propanetricarboxylic acid, 2-hydroxy-, zinc salt, hydrate (2:3:2) | ZINC CITRATE DIHYDRATE [WHO-DD] | Zinc citrate tribasic dihydrate | DTXSID40583827 | AKOS025295521 | Q27231477 | 021IBV57IL | Zinc citrate dihydrate | 1, 2, 3-Propanetricarboxylic aci

Specifications & Purity

≥98%

Storage

Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 504768220
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504768220
• Canonical Smiles: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Zn+2].[Zn+2].[Zn+2]
• IUPAC Name: trizinc;2-hydroxypropane-1,2,3-tricarboxylate;dihydrate
• InChIKey: OXAGUGIXGVHDGD-UHFFFAOYSA-H
• INCHI: 1S/2C6H8O7.2H2O.3Zn/c2*7-3(8)1-6(13,5(11)12)2-4(9)10;;;;;/h2*13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);2*1H2;;;/q;;;;3*+2/p-6
• Isomeric SMILES: C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.O.O.[Zn+2].[Zn+2].[Zn+2]
• Alternate CAS: 546-46-3
• Molecular Weight: 610.40

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Carboxylic acids and derivatives
• Subclass: Tricarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Tricarboxylic acids and derivatives
• Alternative Parents: Tertiary alcohols Carboxylic acid salts Organic transition metal salts Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Not available
• Substituents: Tricarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid salt - Organic transition metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Alcohol - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as tricarboxylic acids and derivatives. These are carboxylic acids containing exactly three carboxyl groups.
• 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

• Solubility: Soluble in dilute mineral acids and alkali hydroxides. Slightly soluble in water.
• Sensitivity: Moisture sensitive.
• Melt Point(°C): 334 °C
• Molecular Weight: 610.400 g/mol
• Hydrogen Bond Donor Count: 4
• Hydrogen Bond Acceptor Count: 16
• Rotatable Bond Count: 4
• Exact Mass: 607.812 Da
• Monoisotopic Mass: 605.816 Da
• Topological Polar Surface Area: 283.000 Ų
• Heavy Atom Count: 31
• Formal Charge: 0
• Complexity: 211.000
• 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: 7

XLogP3

References

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2. Suling Zhang, Weixuan Yao, Defeng Fu, Chunxiao Zhang, Hongting Zhao.  (2018)  Fabrication of magnetic zinc adeninate metal–organic frameworks for the extraction of benzodiazepines from urine and wastewater.  JOURNAL OF SEPARATION SCIENCE,  41  (8): (1864-1870).  [PMID:29356344] [10.1002/jssc.201701226]

3. Jinjuan Xue, Shuaishuai Ma, Yuming Zhou, Zewu Zhang, Ping Jiang.  (2015)  Synthesis of Ag/ZnO/C plasmonic photocatalyst with enhanced adsorption capacity and photocatalytic activity to antibiotics.  RSC Advances,  5  (24): (18832-18840).  [PMID:] [10.1039/C5RA00217F]

4. Jinjuan Xue, Shuaishuai Ma, Yuming Zhou, Zewu Zhang.  (2014)  Facile synthesis of ZnO–C nanocomposites with enhanced photocatalytic activity.  NEW JOURNAL OF CHEMISTRY,  39  (3): (1852-1857).  [PMID:] [10.1039/C4NJ02004A]