Humic acid, sodium salt - AR , CAS No.68131-04-4

CAS: 68131-04-4 Cat. No.: H102874 EC Number: 268-608-0

GRADE & PURITY AR

Synonyms

NaHA | disodium bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate | F88108 | FS-10466 | SCHEMBL3278537 | disodium;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate | C9H8Na2O4 | Sodium bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate | Disodium bicyclo[2.2.1]hept-5-en-2,3-di

Storage

Desiccated,Room temperature

Shipped In

Normal

Overview

Humic acid sodium salt is a complex mixture of multiple acids, which functions as a dibasic or tribasic acid. Structurally, Humic acid sodium salt is composed of carboxyl and phenolate groups, which result in this dibasic nature. This acid mixture is usually found in dead organic matter via biodegradation. Humic acid sodium salt can protonate carboxyl groups at a pK1 value of 4 and protonate phenolate groups at a pK1 value of 8. It is known that Humic acid sodium salt is important in regulating the bioavailability of metal ions as a result of its chelating properties to metal ions.
A principal component of humic substances

Specifications

Synonyms

NaHA | disodium bicyclo[2.2.1]hept-5-ene-2, 3-dicarboxylate | F88108 | FS-10466 | SCHEMBL3278537 | disodium;bicyclo[2.2.1]hept-5-ene-2, 3-dicarboxylate | C9H8Na2O4 | Sodium bicyclo[2.2.1]hept-5-ene-2, 3-dicarboxylate | Disodium bicyclo[2.2.1]hept-5-en-2, 3-di

Specifications & Purity

AR

Storage

Desiccated, Room temperature

Shipped In

Normal

Grade

AR

Names and Identifiers

• Pubchem Sid: 504769084
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504769084
• Canonical Smiles: C1C2C=CC1C(C2C(=O)[O-])C(=O)[O-].[Na+].[Na+]
• IUPAC Name: disodium;bicyclo[2.2.1]hept-5-ene-2,3-dicarboxylate
• InChIKey: HMGUIQPKFUZDPV-UHFFFAOYSA-L
• INCHI: 1S/C9H10O4.2Na/c10-8(11)6-4-1-2-5(3-4)7(6)9(12)13;;/h1-2,4-7H,3H2,(H,10,11)(H,12,13);;/q;2*+1/p-2
• Isomeric SMILES: C1C2C=CC1C(C2C(=O)[O-])C(=O)[O-].[Na+].[Na+]
• WGK Germany: 3
• RTECS: MT6550000
• Reaxy-Rn: 13931453
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13931453&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 Carboxylic acids Organic sodium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic homopolycyclic compounds
• Substituents: Dicarboxylic acid or derivatives - 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 - Organic cation - Aliphatic homopolycyclic 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: 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

• Melt Point(°C): 300°C
• Molecular Weight: 226.140 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 0
• Exact Mass: 226.022 Da
• Monoisotopic Mass: 226.022 Da
• Topological Polar Surface Area: 80.300 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 255.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 4
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 3

XLogP3

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