5-Ethoxy-5-oxopentylzinc bromide solution - 0.5M in THF , CAS No.265330-98-1

CAS: 265330-98-1 Cat. No.: E465916 Fórmula: C₇H₁₃BrO₂Zn Peso molecular: 274.46 PubChem CID: 3260042

GRADE & PURITY 0.5M in THF

Synonyms

4-(Ethoxycarbonyl)butylzinc bromide

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

4-(Ethoxycarbonyl)butylzinc bromide

Especificaciones y pureza

0.5M in THF

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Argon charged

Enviado en

Wet ice

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Nombres e identificadores

• Pubchem Sid: 508809841
• Sonrisas canónicas: CCOC(=O)CCC[CH2-].[Zn+]Br
• IUPAC Name: bromozinc(1+);ethyl pentanoate
• InChIKey: JJSSUZYKRQXNFR-UHFFFAOYSA-M
• INCHI: 1S/C7H13O2.BrH.Zn/c1-3-5-6-7(8)9-4-2;;/h1,3-6H2,2H3;1H;/q-1;;+2/p-1
• Isómeros SMILES: CCOC(=O)CCC[CH2-].[Zn+]Br
• PubChem CID: 3260042
• Peso molecular: 274.46

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Lipids and lipid-like molecules
    • Clase Fatty Acyls
      • Subclass Fatty acid esters

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Clase: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Organic transition metal salts Organic metal halides Organic metal bromide salts Monocarboxylic acids and derivatives Organic oxides Organic bromide salts Hydrocarbon derivatives Carbonyl compounds Organic cations
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Carboxylic acid derivative - Organic metal halide - Monocarboxylic acid or derivatives - Organic transition metal salt - Organic metal salt - Organic metal bromide salt - Organic salt - Organooxygen compound - Organic bromide salt - Organic oxygen compound - Carbonyl group - Hydrocarbon derivative - Organic oxide - Organic cation - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as fatty acid esters. These are carboxylic ester derivatives of a fatty 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: Air sensitive
• Peso molecular: 274.500 g/mol
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 271.939 Da
• Monoisotopic Mass: 271.939 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 88.500
• 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

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