2-Acetoxy-2',4'-difluoroacetophenone - ≥97% , CAS No.122263-03-0

CAS: 122263-03-0 Cat. No.: A190183 Fórmula: C₁₀H₈F₂O₃ Peso molecular: 214.17

GRADE & PURITY ≥97%

Synonyms

OOCYQJABZIZEAJ-UHFFFAOYSA-N | s11835 | 2-Acetoxy-2 inverted exclamation mark ,4 inverted exclamation mark -difluoroacetophenone | 2-(2,4-DIFLUOROPHENYL)-2-OXOETHYL ACETATE | AKOS015911868 | 2-Acetoxy-2',4'-difluoroacetophenone | DTXSID20570492 | DS-13675

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

OOCYQJABZIZEAJ-UHFFFAOYSA-N | s11835 | 2-Acetoxy-2 inverted exclamation mark ,4 inverted exclamation mark -difluoroacetophenone | 2-(2,4-DIFLUOROPHENYL)-2-OXOETHYL ACETATE | AKOS015911868 | 2-Acetoxy-2',4'-difluoroacetophenone | DTXSID20570492 | DS-13675

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CC(=O)OCC(=O)C1=C(C=C(C=C1)F)F
• IUPAC Name: [2-(2,4-difluorophenyl)-2-oxoethyl] acetate
• InChIKey: OOCYQJABZIZEAJ-UHFFFAOYSA-N
• INCHI: 1S/C10H8F2O3/c1-6(13)15-5-10(14)8-3-2-7(11)4-9(8)12/h2-4H,5H2,1H3
• Isómeros SMILES: CC(=O)OCC(=O)C1=C(C=C(C=C1)F)F
• Peso molecular: 214.17
• Reaxy-Rn: 7583974
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=7583974&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Clase Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Phenylketones
              • Level8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Clase: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Alpha-acyloxy ketones Aryl fluorides Vinylogous halides Carboxylic acid esters Monocarboxylic acids and derivatives Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Alpha-acyloxy ketone - Halobenzene - Fluorobenzene - Aryl fluoride - Benzenoid - Monocyclic benzene moiety - Aryl halide - Vinylogous halide - Carboxylic acid ester - Monocarboxylic acid or derivatives - Carboxylic acid derivative - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as alkyl-phenylketones. These are aromatic compounds containing a ketone substituted by one alkyl group, and a phenyl group.
• 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

• Peso molecular: 214.160 g/mol
• XLogP3: 1.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 214.044 Da
• Monoisotopic Mass: 214.044 Da
• Topological Polar Surface Area: 43.400 Ų
• Heavy Atom Count: 15
• Formal Charge: 0
• Complexity: 255.000
• 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

Preguntas frecuentes

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at 2–8 °C. Refrigerated storage is required to maintain the specified shelf life.

How is this product shipped?

This product ships chilled on wet ice. Unpack on arrival and transfer it to the storage condition stated above.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 122263-03-0, the molecular formula is C10H8F2O3, and the molecular weight is 214.17 g/mol. InChIKey OOCYQJABZIZEAJ-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.