Cesium Pivalate - ≥97%(T) , CAS No.20442-70-0

CAS: 20442-70-0 Cat. No.: C153540 Fórmula: C₅H₉CsO₂ Peso molecular: 234.03 Número EC: 628-015-3

GRADE & PURITY ≥97%(T)

Synonyms

AKOS025294859 | SCHEMBL101921 | LGVUAXNPXVXCCW-UHFFFAOYSA-M | T70538 | Cesium pivalate,98% | Cesium 2,2-Dimethylpropionate | cesium 2,2-dimethyl-propionate | cesium 2,2-dimethylpropanoate | EN300-7596559 | C3230 | caesium(1+) 2,2-dimethylpropanoate | DTXS

Storage

Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

AKOS025294859 | SCHEMBL101921 | LGVUAXNPXVXCCW-UHFFFAOYSA-M | T70538 | Cesium pivalate,98% | Cesium 2,2-Dimethylpropionate | cesium 2,2-dimethyl-propionate | cesium 2,2-dimethylpropanoate | EN300-7596559 | C3230 | caesium(1+) 2,2-dimethylpropanoate | DTXS

Especificaciones y pureza

≥97%(T)

Condiciones de almacenamiento de almacenamiento

Room temperature,Argon charged

Enviado en

Normal

Pureza

≥97%(T)

Nombres e identificadores

• Pubchem Sid: 488190444
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488190444
• Sonrisas canónicas: CC(C)(C)C(=O)[O-].[Cs+]
• IUPAC Name: cesium;2,2-dimethylpropanoate
• InChIKey: LGVUAXNPXVXCCW-UHFFFAOYSA-M
• INCHI: 1S/C5H10O2.Cs/c1-5(2,3)4(6)7;/h1-3H3,(H,6,7);/q;+1/p-1
• Isómeros SMILES: CC(C)(C)C(=O)[O-].[Cs+]
• WGK Alemania: 3
• Peso molecular: 234.03
• Reaxy-Rn: 6158880
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6158880&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Carboxylic acid derivatives

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Carboxylic acid derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Carboxylic acid salts
• Alternative Parents: Organic alkali metal salts Monocarboxylic acids and derivatives Carboxylic acids Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carboxylic acid salt - Organic alkali metal salt - Monocarboxylic acid or derivatives - Carboxylic acid - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organic salt - Organooxygen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carboxylic acid salts. These are ionic derivatives of carboxylic acid.
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive.
• Punto de fusión (°C): 348°C(lit.)
• Peso molecular: 234.030 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 233.966 Da
• Monoisotopic Mass: 233.966 Da
• Topological Polar Surface Area: 40.100 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 82.900
• 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

Referencias

1. Qingjun Zhang, Youguang Ma, Xigang Yuan, Aiwu Zeng.  (2022)  Box-Behnken experimental design for optimizing process parameters in carbonate-promoted direct thiophene carboxylation reaction with carbon dioxide.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2022.09.007]

2. Qingjun Zhang, Pengyuan Shi, Xigang Yuan, Youguang Ma, Aiwu Zeng.  (2022)  Direct carboxylation of thiophene with CO2 in the solvent-free carboxylate-carbonate molten medium: Experimental and mechanistic insights.  CHINESE JOURNAL OF CHEMICAL ENGINEERING,      [PMID:] [10.1016/j.cjche.2022.09.003]