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

CAS: 13670-99-0 Cat. No.: D122010 Summenformel: F₂C₆H₃COCH₃ Molekulargewicht: 156.13 Beilstein Registry Number: 2046068 EG-Nummer: 237-151-9

QUALITÄT & REINHEIT ≥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

Übersicht

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.

Spezifikationen

Synonyme

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

Spezifikationen & Reinheit

≥98%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥98%

Namen und Kennungen

Pubchem Sid

504755690

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

WGK Deutschland

3

Molekulargewicht

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
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Slightly soluble in water.
• Brechungsindex: 1.481
• Flammpunkt (°F): 170.6 °F
• Flammpunkt (°C): 76°C
• Siedepunkt (°C): 79°C/15mmHg
• Molekulargewicht: 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

Häufig gestellte Fragen

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.