Barium i-propoxide - ≥99% trace metals basis, used for For preparation of bimetallic Ba-Nb and Ba-Zr alkoxides. Asymmetric aldol reactions are promoted by a novel catalyst prepared from Ba(O-i-Pr)2. various applications , CAS No.24363-37-9

CAS: 24363-37-9 Cat. No.: B282982 Fórmula: C₆H₁₄BaO₂ Peso molecular: 255.52 Número CE: 628-222-9

GRADE & PURITY ≥99% trace metals basis

Synonyms

ZAA36337 | CPUJSIVIXCTVEI-UHFFFAOYSA-N | AKOS025294976 | barium(2+);propan-2-olate | DTXSID40422005 | Barium isopropoxide | barium(II) isopropoxide | SCHEMBL72736

Storage

Room temperature

Specifications

Sinónimos

ZAA36337 | CPUJSIVIXCTVEI-UHFFFAOYSA-N | AKOS025294976 | barium(2+);propan-2-olate | DTXSID40422005 | Barium isopropoxide | barium(II) isopropoxide | SCHEMBL72736

Especificações e pureza

≥99% trace metals basis

Aplicação

For preparation of bimetallic Ba-Nb and Ba-Zr alkoxides. Asymmetric aldol reactions are promoted by a novel catalyst prepared from Ba(O-i-Pr)2.

Condições de armazenamento de armazenamento

Room temperature

Pureza

≥99% trace metals basis

Nomes e identificadores

• Sorrisos canónicos: CC(C)[O-].CC(C)[O-].[Ba+2]
• IUPAC Name: barium(2+);propan-2-olate
• InChIKey: CPUJSIVIXCTVEI-UHFFFAOYSA-N
• INCHI: 1S/2C3H7O.Ba/c2*1-3(2)4;/h2*3H,1-2H3;/q2*-1;+2
• SMILES isoméricas: CC(C)[O-].CC(C)[O-].[Ba+2]
• Peso molecular: 255.52
• Reaxy-Rn: 16475030
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=16475030&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organic oxides

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organic oxides
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Organic oxides
• Alternative Parents: Organic zwitterions Organic salts Hydrocarbon derivatives Alkoxides
• Molecular Framework: Not available
• Substituents: Organic oxide - Hydrocarbon derivative - Organic salt - Organic zwitterion - Alkoxide - Organooxygen compound - Aliphatic acyclic compound
• Descrição: This compound belongs to the class of organic compounds known as organic oxides. These are organic compounds containing an oxide 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

Propriedades químicas e físicas

• Sensibilidade: moisture sensitive
• Peso molecular: 255.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 256.005 Da
• Monoisotopic Mass: 256.005 Da
• Topological Polar Surface Area: 46.100 Ų
• Heavy Atom Count: 9
• Formal Charge: 0
• Complexity: 10.800
• 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: 3

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