2',6'-Difluoroacetophenone - ≥98% , CAS No.13670-99-0

CAS: 13670-99-0 Cat. No.: D122010 Fórmula: F₂C₆H₃COCH₃ Peso molecular: 156.13 Beilstein Registry Number: 2046068 Número EC: 237-151-9

CALIDAD & PUREZA ≥98%

Synonyms

MFCD00010692 | 1-(2,6-Difluorophenyl)ethan-1-one | STL301827 | 1-(2,6-Difluorophenyl)ethanone | 1-(2,6-Difluoro-phenyl)-ethanone | 1-(2,6-Difluorophenyl)ethanone # | SY001308 | D3559 | Z90122597 | AC-2459 | 2',6'-Difluoroacetophenone | 2,6-Difluoroacetoph

Storage

Room temperature

Shipped In

Normal

Descripción general

description：

2′,6′-Difluoroacetophenone undergoes ruthenium-catalyzed phenylation with phenylboronate via carbon-fluorine bond cleavage to yield 2′,6′-diphenylacetophenone.

application：

2′,6′-Difluoroacetophenone was used in the synthesis of 2-amino-4-alkyl- and 2-amino-4-arylquinazolines.

Especificaciones

Sinónimos

MFCD00010692 | 1-(2,6-Difluorophenyl)ethan-1-one | STL301827 | 1-(2,6-Difluorophenyl)ethanone | 1-(2,6-Difluoro-phenyl)-ethanone | 1-(2,6-Difluorophenyl)ethanone # | SY001308 | D3559 | Z90122597 | AC-2459 | 2',6'-Difluoroacetophenone | 2,6-Difluoroacetoph

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

504755690

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504755690

Sonrisas canónicas

CC(=O)C1=C(C=CC=C1F)F

IUPAC Name

1-(2,6-difluorophenyl)ethanone

InChIKey

VGIIILXIQLXVLC-UHFFFAOYSA-N

INCHI

1S/C8H6F2O/c1-5(11)8-6(9)3-2-4-7(8)10/h2-4H,1H3

Isómeros SMILES

CC(=O)C1=C(C=CC=C1F)F

WGK Alemania

3

Peso molecular

156.13

Beilstein

2046068

Reaxy-Rn

2046068

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2046068&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: Acetophenones Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Vinylogous halides Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Halobenzene - Fluorobenzene - Aryl fluoride - Aryl halide - Benzenoid - Monocyclic benzene moiety - Vinylogous halide - Organofluoride - Organic oxide - Hydrocarbon derivative - Organohalogen compound - 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

• Solubilidad: Slightly soluble in water.
• Índice de refracción: 1.481
• Punto de inflamación (°F): 170.6 °F
• Punto de inflamación (°C): 76°C
• Punto de ebullición (°C): 79°C/15mmHg
• Peso molecular: 156.130 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 156.039 Da
• Monoisotopic Mass: 156.039 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 148.000
• 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 ≥98% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

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

The CAS Number is 13670-99-0, the molecular formula is C8H6F2O, and the molecular weight is 156.13 g/mol. InChIKey VGIIILXIQLXVLC-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.