Cesium hydrogen carbonate - PrimorTrace™, ≥99.99% metals basis , CAS No.29703-01-3

CAS: 29703-01-3 Cat. No.: C303357 Molecular Weight: 193.92 EC Number: 249-784-8

GRADE & PURITY PrimorTrace™, ≥99.99% metals basis

Synonyms

cesium hydrogen carbonate | CHCsO3 | Cesium bicarbonate | cesium;hydrogen carbonate | EINECS 239-554-5 | SCHEMBL22447 | caesium bicarbonate | Cesium hydrogencarbonate | MFCD00010961

Storage

Room temperature,Argon charged,Desiccated

Shipped In

Normal

Overview

​Cesium hydrogencarbonate can be used as a base:In the Ni-catalyzed hydroarylation of unactivated alkenes with arylboronic acids to synthesize arylated alkanes；To synthesize 5-phenylthiazolamines by coupling thiourea with phenylacetones, phenylacetophenones, and β-tetralone in the presence of CBrCl3；In the Pd-catalyzed hydroxycarbonylation of aryl halides；In the regioselective alkylation of 2,4-dihydroxybenzyaldehydes and 2,4-dihydroxyacetophenones using alkyl halides to synthesize 4-alkylated products.

It can also be used as a catalyst for the：Etherification of glycerol to oligomers；Acetylation of primary alcohols and phenols to acetates using acetic anhydride.

Specifications

Synonyms

cesium hydrogen carbonate | CHCsO3 | Cesium bicarbonate | cesium;hydrogen carbonate | EINECS 239-554-5 | SCHEMBL22447 | caesium bicarbonate | Cesium hydrogencarbonate | MFCD00010961

Specifications & Purity

PrimorTrace™, ≥99.99% metals basis

Storage

Room temperature, Argon charged, Desiccated

Shipped In

Normal

Grade

PrimorTrace™

Purity

≥99.99% metals basis

Names and Identifiers

• Pubchem Sid: 488192695
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192695
• Canonical Smiles: C(=O)(O)[O-].[Cs+]
• IUPAC Name: cesium;hydrogen carbonate
• InChIKey: ZMCUDHNSHCRDBT-UHFFFAOYSA-M
• INCHI: 1S/CH2O3.Cs/c2-1(3)4;/h(H2,2,3,4);/q;+1/p-1
• Isomeric SMILES: C(=O)(O)[O-].[Cs+]
• WGK Germany: 3
• Molecular Weight: 193.92
• Reaxy-Rn: 13205348
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=13205348&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 alkali metal 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 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: 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
• Sensitivity: Hygroscopic
• Melt Point(°C): 175℃
• Molecular Weight: 193.922 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 193.898 Da
• Monoisotopic Mass: 193.898 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

References

1. Wentao Ye, Wenxing Yang.  (2025)  A Holistic View of Ions and Water Arrangements at the Electrified Cu Surface during Electrochemical CO2 Conversion.  Journal of Physical Chemistry C,      [PMID:] [10.1021/acs.jpcc.5c07614]