1-(4-Fluorophenyl)-2-hydroxyethanone - ≥98% , CAS No.403-31-6

CAS: 403-31-6 Cat. No.: F1073623 Fórmula: C₈H₇FO₂ Peso molecular: 154.14 PubChem CID: 2810715

GRADE & PURITY ≥98%

Synonyms

1-(4-FLUOROPHENYL)-2-HYDROXY-1-ETHANONE | 1-(4-FLUOROPHENYL)-2-HYDROXYETHANONE | 2-HYDROXY-1-(4-FLUOROPHENYL)ETHANONE | 2-HYDROXY-4-FLUOROACETOPHENONE | RARECHEMALBD0490 | 4'-Fluoro-2-hydroxyacetophenone | 1-(4-Fluorophenyl)-2-hydroxyethan-1-one

Storage

Store at 2-8°C,Protected from light

Shipped In

Wet ice

Specifications

Sinónimos

1-(4-FLUOROPHENYL)-2-HYDROXY-1-ETHANONE | 1-(4-FLUOROPHENYL)-2-HYDROXYETHANONE | 2-HYDROXY-1-(4-FLUOROPHENYL)ETHANONE | 2-HYDROXY-4-FLUOROACETOPHENONE | RARECHEMALBD0490 | 4'-Fluoro-2-hydroxyacetophenone | 1-(4-Fluorophenyl)-2-hydroxyethan-1-one

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C,Protected from light

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥98%

Nombres e identificadores

Sonrisas canónicas

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

IUPAC Name

1-(4-fluorophenyl)-2-hydroxyethanone

InChIKey

CCNZMIDUTPQMIK-UHFFFAOYSA-N

INCHI

1S/C8H7FO2/c9-7-3-1-6(2-4-7)8(11)5-10/h1-4,10H,5H2

Isómeros SMILES

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

PubChem CID

2810715

Peso molecular

154.14

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: Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Alpha-hydroxy ketones Primary alcohols Organofluorides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-hydroxy ketone - Hydrocarbon derivative - Organic oxide - Alcohol - Organohalogen compound - Organofluoride - Primary alcohol - 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

• Sensibilidad: light and moisture sensitive
• Punto de fusión (°C): 113-117
• Peso molecular: 154.140 g/mol
• XLogP3: 1.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 154.043 Da
• Monoisotopic Mass: 154.043 Da
• Topological Polar Surface Area: 37.300 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 139.000
• 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