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

CAS: 1823-63-8 Cat. No.: T587780 Formule: C₈H₅F₃O₂ Poids moléculaire: 190.12

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Store at 2-8°C,Desiccated

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥98%

Noms et identifiants

Sourires canoniques

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

Isomères SMILES

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

Poids moléculaire

190.12

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 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
• Description: 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

Propriétés chimiques et physiques

• Poids moléculaire: 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