tri-Sodium citrate - Anhydrous Grade, USP, PharmPure™ , CAS No.68-04-2

CAS: 68-04-2 Cat. No.: T774745 Summenformel: C₆H₅O₇Na₃ Molekulargewicht: 258.07 EG-Nummer: 200-675-3

QUALITÄT & REINHEIT Anhydrous Grade, PharmPure™, USP

Synonyms

tri-Sodium citrate

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Übersicht

tri-Sodium citrate anhydrous is typically used as a citrate buffer system component for biomolecule downstream chromatography steps or final liquid formulation.

Spezifikationen

Synonyme

tri-Sodium citrate

Spezifikationen & Reinheit

Anhydrous Grade, USP, PharmPure™

Storage

Room temperature,Argon charged,Desiccated

Verschickt in

Normal

Note

Anhydrous Grade, PharmPure™, USP

Namen und Kennungen

PH

7.5-9.0 (20 °C, 10 g/L in H2O)

Kanonisches Lächeln

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+]

IUPAC Name

trisodium;2-hydroxypropane-1,2,3-tricarboxylate

InChIKey

HRXKRNGNAMMEHJ-UHFFFAOYSA-K

INCHI

1S/C6H8O7.3Na/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;3*+1/p-3

Isomere SMILES

C(C(=O)[O-])C(CC(=O)[O-])(C(=O)[O-])O.[Na+].[Na+].[Na+]

Molekulargewicht

258.07

Reaxy-Rn

3920956

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3920956&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Klasse: 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
• Beschreibung: 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: organic sodium 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

Chemische und physikalische Eigenschaften

• Löslichkeit: 425 g/L
• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 150 °C (decomposition)
• Molekulargewicht: 258.070 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 2
• Exact Mass: 257.973 Da
• Monoisotopic Mass: 257.973 Da
• Topological Polar Surface Area: 141.000 Ų
• Heavy Atom Count: 16
• 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: 4

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