Potassium bicarbonate - ≥99.7% metals basis , CAS No.298-14-6

CAS: 298-14-6 Cat. No.: P777699 Formula: KHCO₃ Molecular Weight: 100.12 Beilstein Registry Number: 4535309 EC Number: 206-059-0

GRADE & PURITY ≥99.7% metals basis

Storage

Room temperature

Shipped In

Normal

Overview

Potassium bicarbonate is water soluble alkaline potassium salt with monoclinic crystalline structure. It is a raw material for the synthesis of many potassium compounds. It is a better coolant than sodium bicarbonate in the aerosol fire extinguishing apparatus. It shows potential as an antifungal agent.

Potassium bicarbonate may be used as a catalyst in the synthesis of dimethyl carbonate (DMC) by reacting with propylene oxide (PO), supercritical CO2 (SC CO2) and methanol.It may also be used as a nucleophile for synthesizing branched allylic alcohols in the presence of iridium catalyst.

Specifications

Specifications & Purity

≥99.7% metals basis

Storage

Room temperature

Shipped In

Normal

Purity

≥99.7% metals basis

Names and Identifiers

Canonical Smiles

C(=O)(O)[O-].[K+]

IUPAC Name

potassium;hydrogen carbonate

InChIKey

TYJJADVDDVDEDZ-UHFFFAOYSA-M

INCHI

1S/CH2O3.K/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1

Isomeric SMILES

C(=O)(O)[O-].[K+]

WGK Germany

1

Molecular Weight

100.12

Beilstein

4535309

Reaxy-Rn

4535309

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4535309&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Class Organic carbonic acids and derivatives
      • Subclass Organic carbonic acids

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Class: Organic carbonic acids and derivatives
• Subclass: Organic carbonic acids
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic carbonic acids
• Alternative Parents: Carbonate salts Organic potassium salts Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonate salt - Carbonic acid - Organic alkali metal salt - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic potassium salt - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Description: This compound belongs to the class of organic compounds known as organic carbonic acids. These are compounds comprising the carbonic acid functional group.
• External Descriptors: potassium salt - organic 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

• Solubility: Soluble in water. Insoluble in alcohol.
• Sensitivity: Moisture sensitive.
• Refractive Index: 1.482
• Molecular Weight: 100.115 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 99.9563 Da
• Monoisotopic Mass: 99.9563 Da
• Topological Polar Surface Area: 60.400 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 33.900
• 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