Ethyl fumaroyl chloride - ≥97% , CAS No.26367-48-6

CAS: 26367-48-6 Cat. No.: E131474 Peso molecular: 162.57 Número EC: 628-424-7

GRADE & PURITY ≥97%

Synonyms

ethyl (E)-3-chlorocarbonylacrylate | ethyl (E)-4-chloro-4-oxobut-2-enoate | Ethyl 4-chloro-4-oxobut-2-enoate | (E)-3-chlorocarbonyl acrylic acid ethyl ester | Ethyl fumaryl chloride | ethyl (2E)-4-chloro-4-oxobut-2-enoate | (E)-3-(Chloroformyl)-acrylic ac

Storage

Argon charged,Room temperature

Shipped In

Normal

Specifications

Sinónimos

ethyl (E)-3-chlorocarbonylacrylate | ethyl (E)-4-chloro-4-oxobut-2-enoate | Ethyl 4-chloro-4-oxobut-2-enoate | (E)-3-chlorocarbonyl acrylic acid ethyl ester | Ethyl fumaryl chloride | ethyl (2E)-4-chloro-4-oxobut-2-enoate | (E)-3-(Chloroformyl)-acrylic ac

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Argon charged, Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C=CC(=O)Cl
• IUPAC Name: ethyl (E)-4-chloro-4-oxobut-2-enoate
• InChIKey: YYLWXDIGYFPUSK-ONEGZZNKSA-N
• INCHI: 1S/C6H7ClO3/c1-2-10-6(9)4-3-5(7)8/h3-4H,2H2,1H3/b4-3+
• Isómeros SMILES: CCOC(=O)/C=C/C(=O)Cl
• WGK Alemania: 3
• Peso molecular: 162.57
• Reaxy-Rn: 1363918
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1363918&ln=

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: Enoate esters Monocarboxylic acids and derivatives Acyl chlorides Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Fatty acid ester - Enoate ester - Alpha,beta-unsaturated carboxylic ester - Carboxylic acid ester - Acyl chloride - Acyl halide - Carboxylic acid derivative - Monocarboxylic acid or derivatives - Carbonyl group - Organic oxide - Organic oxygen compound - Organohalogen compound - Organochloride - Organooxygen compound - Hydrocarbon derivative - 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: Moisture sensitive.
• Peso molecular: 162.570 g/mol
• XLogP3: 1.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 162.008 Da
• Monoisotopic Mass: 162.008 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 162.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 1
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 1
• Covalently-Bonded Unit Count: 1