2,2,2,4'-Tetrafluoroacetophenone - ≥98%(GC) , CAS No.655-32-3

CAS: 655-32-3 Cat. No.: T162005 Formula: C₈H₄F₄O Peso molecolare: 192.11 Beilstein Registry Number: 1872820 Numero EC: 211-509-4 PubChem CID: 69564

GRADE & PURITY ≥98%(GC)

Synonyms

1-(4-Fluorophenyl)-2,2,2trifluoroethanone | 1-(4-fluorophenyl)-2,2,2-trifluoroethanone | 4'-Fluoro-2,2,2-trifluoroacetophenone | DTXSID3060958 | NSC 158171 | 1-(4-Fluorophenyl)-2,2,2-trifluoroethan-1-one | Acetophenone, 2,2,2,4'-tetrafluoro | Acetophenone

Storage

Store at 2-8°C

Shipped In

Wet ice

Panoramica

2,2,2,4′-Tetrafluoroacetophenone (α,α,α,4-Tetrafluoroacetophenone, 2,2,2-trifluoro-1-(4-fluorophenyl)ethanone) is a fluorinated building block. Its enthalpy of vaporization at boiling point has been reported.

Specifications

Sinonimi

1-(4-Fluorophenyl)-2,2,2trifluoroethanone | 1-(4-fluorophenyl)-2,2,2-trifluoroethanone | 4'-Fluoro-2,2,2-trifluoroacetophenone | DTXSID3060958 | NSC 158171 | 1-(4-Fluorophenyl)-2,2,2-trifluoroethan-1-one | Acetophenone, 2,2,2,4'-tetrafluoro | Acetophenone

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

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Purezza

≥98%(GC)

Nomi e identificatori

• Pubchem Sid: 508807548
• Sorrisi canonici: C1=CC(=CC=C1C(=O)C(F)(F)F)F
• IUPAC Name: 2,2,2-trifluoro-1-(4-fluorophenyl)ethanone
• InChIKey: LUKLMXJAEKXROG-UHFFFAOYSA-N
• INCHI: 1S/C8H4F4O/c9-6-3-1-5(2-4-6)7(13)8(10,11)12/h1-4H
• Isomeri SMILES: C1=CC(=CC=C1C(=O)C(F)(F)F)F
• WGK Germania: 3
• PubChem CID: 69564
• Peso molecolare: 192.11
• Beilstein: 1872820
• Reaxy-Rn: 1872824

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones - Phenylketones
• Direct Parent: Alkyl-phenylketones
• Alternative Parents: Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Alpha-haloketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl fluoride - Alpha-haloketone - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - Organic oxide - Hydrocarbon derivative - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.448 (lit.)
• Punto di infiammabilità (°F): 89.6 °F
• Punto di infiammabilità (°C): 32 °C
• Punto di ebollizione (°C): 66-67 °C/34 mmHg (lit.)
• Punto di fusione (°C): 24-27 °C (lit.)
• Peso molecolare: 192.110 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 192.02 Da
• Monoisotopic Mass: 192.02 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 191.000
• 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