Cloreto de etil-succinilo - ≥95% , CAS No.14794-31-1

CAS: 14794-31-1 Cat. No.: E131894 Fórmula: C₆H₉ClO₃ Peso molecular: 164.59 Beilstein Registry Number: 2613 Número CE: 238-855-9

GRADE & PURITY ≥95%

Synonyms

3-(clorofórmio)propionato de etilo | 4-cloro-4-oxobutanoato de etilo | FT-0625793 | cloreto de 3-(etoxicarbonil)propanoílo | AS-12089 | cloreto de etil-succinilo | tetrahidro-5-oxo-2-furancarboxilato de etilo | CFH5LG292R | cloreto de .beta.-carbetoxiprop

Storage

Armazenar a 2-8°C, carregado com árgon

Shipped In

Gelo húmido

Specifications

Sinónimos

3-(clorofórmio)propionato de etilo | 4-cloro-4-oxobutanoato de etilo | FT-0625793 | cloreto de 3-(etoxicarbonil)propanoílo | AS-12089 | cloreto de etil-succinilo | tetrahidro-5-oxo-2-furancarboxilato de etilo | CFH5LG292R | cloreto de .beta.-carbetoxiprop

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Armazenar a 2-8°C, carregado com árgon

Enviado em

Gelo húmido

Pureza

≥95%

Nomes e identificadores

• Pubchem Sid: 508814772
• Sorrisos canónicos: CCOC(=O)CCC(=O)Cl
• IUPAC Name: ethyl 4-chloro-4-oxobutanoate
• InChIKey: IXZFDJXHLQQSGQ-UHFFFAOYSA-N
• INCHI: 1S/C6H9ClO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3
• SMILES isoméricas: CCOC(=O)CCC(=O)Cl
• WGK Alemanha: 3
• Número UN: 3265
• Grupo de embalagem: III
• Peso molecular: 164.59
• Beilstein: 2613
• Reaxy-Rn: 1766126
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1766126&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Lipids and lipid-like molecules
• Classe: Fatty Acyls
• Subclass: Fatty acid esters
• Intermediate Tree Nodes: Not available
• Direct Parent: Fatty acid esters
• Alternative Parents: Carboxylic acid esters Monocarboxylic acids and derivatives Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Acyl halide - Acyl chloride - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organochloride - Organohalogen compound - Carbonyl group - Aliphatic acyclic compound
• Descrição: 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

Propriedades químicas e físicas

• Sensibilidade: Humidity sensitive
• Índice de refração: 1.44
• Ponto de inflamação (°F): 183.2 °F
• Ponto de inflamação (°C): 84°C(lit.)
• Ponto de ebulição (°C): 144 °C/90 mmHg
• Peso molecular: 164.590 g/mol
• XLogP3: 1.500
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 164.024 Da
• Monoisotopic Mass: 164.024 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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: 1