(E)-4-Etoxi-1,1,1-trifluoro-3-buten-2-ona (estabilizada con BHT) - ≥95%(GC) , CAS No.59938-06-6

CAS: 59938-06-6 Cat. No.: E404401 Peso molecular: 168.12 Número EC: 858-371-7

GRADE & PURITY ≥95%(GC)

Synonyms

BBL104347 | ETFBO | (3Z)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one | 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one, contains 0.5% BHT as stabilizer, technical grade | Foscarb | 4-Ethoxy-1,1,1-trifluoro-3-buten-2-one | (e)-4-ethoxy-1,1,1-trifluoro-3-buten-2-one (sta

Storage

Conservar a 2-8°C,cargado con argón

Shipped In

Hielo húmedo

Descripción general

Longitud de onda de absorción máxima:271(CH3CN)nm

Specifications

Sinónimos

BBL104347 | ETFBO | (3Z)-4-ethoxy-1, 1, 1-trifluorobut-3-en-2-one | 4-Ethoxy-1, 1, 1-trifluoro-3-buten-2-one, contains 0.5% BHT as stabilizer, technical grade | Foscarb | 4-Ethoxy-1, 1, 1-trifluoro-3-buten-2-one | (e)-4-ethoxy-1, 1, 1-trifluoro-3-buten-2-one (sta

Especificaciones y pureza

≥95%(GC)

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C, cargado con argón

Enviado en

Hielo húmedo

Pureza

≥95%(GC)

Nombres e identificadores

• Sonrisas canónicas: CCOC=CC(=O)C(F)(F)F
• IUPAC Name: (E)-4-ethoxy-1,1,1-trifluorobut-3-en-2-one
• InChIKey: YKYIFUROKBDHCY-ONEGZZNKSA-N
• INCHI: 1S/C6H7F3O2/c1-2-11-4-3-5(10)6(7,8)9/h3-4H,2H2,1H3/b4-3+
• Isómeros SMILES: CCO/C=C/C(=O)C(F)(F)F
• Número ONU: 3384
• Grupo de embalaje: I
• Peso molecular: 168.12
• Reaxy-Rn: 1861132
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1861132&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Alpha,beta-unsaturated carbonyl compounds
          • Level6 Alpha,beta-unsaturated ketones
            • Level7 Enones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Alpha,beta-unsaturated carbonyl compounds - Alpha,beta-unsaturated ketones
• Direct Parent: Enones
• Alternative Parents: Vinylogous esters Alpha-haloketones Acryloyl compounds Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Alpha-haloketone - Vinylogous ester - Enone - Acryloyl-group - Ketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as enones. These are compounds containing the enone functional group, with the structure RC(=O)CR'.
• 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,Heat Sensitive
• Índice de refracción: 1.4
• Punto de inflamación (°C): 59 °C
• Punto de ebullición (°C): 48 °C/11 mmHg
• Peso molecular: 168.110 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 168.04 Da
• Monoisotopic Mass: 168.04 Da
• Topological Polar Surface Area: 26.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 160.000
• 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