2,2,2-Trifluoro-4'-hydroxyacetophenone - ≥98% , CAS No.1823-63-8

CAS: 1823-63-8 Cat. No.: T587780 Summenformel: C₈H₅F₃O₂ Molekulargewicht: 190.12

QUALITÄT & REINHEIT ≥98%

Synonyms

4-trifluoroacetylphenol | 2,2,2-Trifluoro-4'-hydroxyacetophenone | AS-33006 | MFCD09832168 | SY028933 | 2,2,2-Trifluoro-4 inverted exclamation mark -hydroxyacetophenone | DTXSID60466108 | SB34533 | 2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHAN-1-ONE | 4'-Hydro

Storage

Store at 2-8°C,Desiccated

Shipped In

Wet ice

Spezifikationen

Synonyme

4-trifluoroacetylphenol | 2,2,2-Trifluoro-4'-hydroxyacetophenone | AS-33006 | MFCD09832168 | SY028933 | 2,2,2-Trifluoro-4 inverted exclamation mark -hydroxyacetophenone | DTXSID60466108 | SB34533 | 2,2,2-TRIFLUORO-1-(4-HYDROXYPHENYL)ETHAN-1-ONE | 4'-Hydro

Spezifikationen & Reinheit

≥98%

Storage

Store at 2-8°C,Desiccated

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥98%

Namen und Kennungen

Kanonisches Lächeln

C1=CC(=CC=C1C(=O)C(F)(F)F)O

IUPAC Name

2,2,2-trifluoro-1-(4-hydroxyphenyl)ethanone

InChIKey

IFNQIRKICGIWKF-UHFFFAOYSA-N

INCHI

1S/C8H5F3O2/c9-8(10,11)7(13)5-1-3-6(12)4-2-5/h1-4,12H

Isomere SMILES

C1=CC(=CC=C1C(=O)C(F)(F)F)O

Molekulargewicht

190.12

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: Benzoyl derivatives Aryl alkyl ketones 1-hydroxy-2-unsubstituted benzenoids Alpha-haloketones Organofluorides Organic oxides Hydrocarbon derivatives Alkyl fluorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Aryl alkyl ketone - Benzoyl - 1-hydroxy-2-unsubstituted benzenoid - Phenol - Benzenoid - Monocyclic benzene moiety - Alpha-haloketone - Organic oxide - Hydrocarbon derivative - Organofluoride - Organohalogen compound - Alkyl halide - Alkyl fluoride - 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

• Molekulargewicht: 190.120 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 1
• Exact Mass: 190.024 Da
• Monoisotopic Mass: 190.024 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 192.000
• 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