2-Chloro-4′-fluoroacétophénone - ≥98%(GC) , CAS No.456-04-2

CAS: 456-04-2 Cat. No.: C138866 Formule: FC₆H₄COCH₂Cl Poids moléculaire: 172.58 Beilstein Registry Number: 637860 Numéro CE: 207-256-4

QUALITÉ & PURETÉ ≥98%(GC)

Synonyms

(Z)-3''-hydroxy-3,4,4'',5-tetramethoxystilbene | Z104478978 | .alpha.-Chloro-para-fluoroacetophenone | 2-Chloro-1-(4-fluorophenyl)ethanone | 2-Chloro-1-(4-fluoro-phenyl)-ethanone | 2-chloro-1-(4-fluorophenyl)-ethanone | BRN 0637860 | Lead, granules | .Alp

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

la 2-chloro-4′-fluoroacétophénone, condensée avec la N-méthyl-4-(méthylthio)benzamidine, donne du 1-méthyl-2-(4-méthylthio)phényl-4-(4-fluoro)phénylimidazole
Il a été utilisé dans la synthèse des S-(phénacyl)glutathiones et de la 2-[3-(4-chlorophényl)-3-hydroxy-8-azabicyclo[3.2.1]oct-8-yl]-1-(4-fluorophényl)éthanone.

Spécifications

Synonymes

(Z)-3''-hydroxy-3,4,4'',5-tetramethoxystilbene | Z104478978 | .alpha.-Chloro-para-fluoroacetophenone | 2-Chloro-1-(4-fluorophenyl)ethanone | 2-Chloro-1-(4-fluoro-phenyl)-ethanone | 2-chloro-1-(4-fluorophenyl)-ethanone | BRN 0637860 | Lead, granules | .Alp

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

488187639

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488187639

Sourires canoniques

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

IUPAC Name

2-chloro-1-(4-fluorophenyl)ethanone

InChIKey

UJZWJOQRSMOFMA-UHFFFAOYSA-N

INCHI

1S/C8H6ClFO/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2

Isomères SMILES

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

WGK Allemagne

3

RTECS

AM6550000

Poids moléculaire

172.58

Beilstein

637860

Reaxy-Rn

637860

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637860&ln=

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-chloroketones Organofluorides Organochlorides Organic oxides Hydrocarbon derivatives Alkyl chlorides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-chloroketone - Alpha-haloketone - Organohalogen compound - Organic oxide - Alkyl halide - Organochloride - Organofluoride - Alkyl chloride - Hydrocarbon derivative - 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

Mécanismes d'action

Propriétés chimiques et physiques

• Solubilité: Insoluble in water.
• Point d'éclair (°F): 230 °F
• Point d'éclair (°C): 110 °C
• Point d'ébullition (°C): 247 °C
• Point de fusion (°C): 50 °C
• Poids moléculaire: 172.580 g/mol
• XLogP3: 2.300
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 172.009 Da
• Monoisotopic Mass: 172.009 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 141.000
• 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

Foire aux questions

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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 456-04-2, the molecular formula is C8H6ClFO, and the molecular weight is 172.58 g/mol. InChIKey UJZWJOQRSMOFMA-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.