Ethyl succinyl chloride - ≥95% , CAS No.14794-31-1

CAS: 14794-31-1 Cat. No.: E131894 Formule: C₆H₉ClO₃ Poids moléculaire: 164.59 Beilstein Registry Number: 2613 Numéro CE: 238-855-9

GRADE & PURITY ≥95%

Synonyms

?Ethyl 3-(chloroformyl)propionate | Ethyl 4-chloro-4-oxobutanoate | FT-0625793 | 3-(Ethoxycarbonyl)propanoyl chloride | AS-12089 | Ethyl succinyl chloride | Ethyl tetrahydro-5-oxo-2-furancarboxylate | CFH5LG292R | .beta.-Carbethoxypropionyl chloride | 3-M

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonymes

?Ethyl 3-(chloroformyl)propionate | Ethyl 4-chloro-4-oxobutanoate | FT-0625793 | 3-(Ethoxycarbonyl)propanoyl chloride | AS-12089 | Ethyl succinyl chloride | Ethyl tetrahydro-5-oxo-2-furancarboxylate | CFH5LG292R | .beta.-Carbethoxypropionyl chloride | 3-M

Spécifications et pureté

≥95%

Conditions de stockage de stockage

Store at 2-8°C,Argon charged

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥95%

Noms et identifiants

• Pubchem Sid: 508814772
• Sourires canoniques: 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
• Isomères SMILES: CCOC(=O)CCC(=O)Cl
• WGK Allemagne: 3
• Numéro ONU: 3265
• Groupe d'emballage: III
• Poids moléculaire: 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
• Description: 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

Propriétés chimiques et physiques

• Sensibilité: Humidity sensitive
• Indice de réfraction: 1.44
• Point d'éclair (°F): 183.2 °F
• Point d'éclair (°C): 84°C(lit.)
• Point d'ébullition (°C): 144 °C/90 mmHg
• Poids moléculaire: 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