Sodium citrate monobasic - ≥99% , CAS No.18996-35-5

CAS: 18996-35-5 Cat. No.: S101713 Molecular Weight: 214.11 Beilstein Registry Number: 3920246 EC Number: 242-734-6 PubChem CID: 23666341

GRADE & PURITY ≥99%

Synonyms

Q4179018 | Sodium citrate monobasic, BioXtra, anhydrous, >=99.5% (T) | sodium 3,4-dicarboxy-3-hydroxybutanoate | 1,2,3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt | Sodium dihydrogen citrate | sodium;3-carboxy-3,5-dihydroxy-5-oxopentanoate | 1,2,3-

Storage

Room temperature

Shipped In

Normal

Overview

Freezing temperature lowerings of aqueous solutions of sodium dihydrogencitrate has been investigated

Application

Sodium dihydrogencitrate has been employed:

as reductant and stabilizer during the synthesis of Fe3O4 Pt core/shell particles

in characterization of carbon-based electrode materials as cathode in half-cell configuration

in electrochemical reduction of proton at carbon fiber electrode in the presence and absence of Pt nanoparticles

Specifications

Synonyms

Q4179018 | Sodium citrate monobasic, BioXtra, anhydrous, >=99.5% (T) | sodium 3, 4-dicarboxy-3-hydroxybutanoate | 1, 2, 3-Propanetricarboxylic acid, 2-hydroxy-, sodium salt | Sodium dihydrogen citrate | sodium;3-carboxy-3, 5-dihydroxy-5-oxopentanoate | 1, 2, 3-

Specifications & Purity

≥99%

Storage

Room temperature

Shipped In

Normal

Purity

≥99%

Names and Identifiers

• Pubchem Sid: 504769523
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769523
• Canonical Smiles: C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.[Na+]
• IUPAC Name: sodium;3-carboxy-3,5-dihydroxy-5-oxopentanoate
• InChIKey: HWPKGOGLCKPRLZ-UHFFFAOYSA-M
• INCHI: 1S/C6H8O7.Na/c7-3(8)1-6(13,5(11)12)2-4(9)10;/h13H,1-2H2,(H,7,8)(H,9,10)(H,11,12);/q;+1/p-1
• Isomeric SMILES: C(C(=O)O)C(CC(=O)[O-])(C(=O)O)O.[Na+]
• WGK Germany: 1
• RTECS: GE7950000
• PubChem CID: 23666341
• Molecular Weight: 214.11
• Beilstein: 3920246

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 Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Tricarboxylic acid or derivatives - Tertiary alcohol - Carboxylic acid salt - Organic alkali metal salt - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic sodium salt - 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 water. Insoluble in ethanol
• Sensitivity: Hygroscopic
• Melt Point(°C): 209-215°C
• Molecular Weight: 214.100 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 5
• Exact Mass: 214.009 Da
• Monoisotopic Mass: 214.009 Da
• Topological Polar Surface Area: 135.000 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 251.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• 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

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