2-Bromo-1-(4-fluorophenyl)-2-phenylethanone - ≥95% , CAS No.88675-31-4

CAS: 88675-31-4 Cat. No.: B304836 Peso molecular: 293.14 Número EC: 112-487-8

GRADE & PURITY ≥95%

Synonyms

2-Bromo-1-(4-fluorophenyl)-2-phenylethanone | 2-bromo-1-(4-fluorophenyl)-2-phenylethan-1-one | DTXSID20461735 | ADK-2; 2-Bromo-1-(4-fluorophenyl)-2-phenylethanone; 2-Bromo-2-phenyl-1-(4-fluorophenyl)-ethanone | 2-Bromo-2-phenyl-1-(4-fluorophenyl)-ethanone

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Sinónimos

2-Bromo-1-(4-fluorophenyl)-2-phenylethanone | 2-bromo-1-(4-fluorophenyl)-2-phenylethan-1-one | DTXSID20461735 | ADK-2; 2-Bromo-1-(4-fluorophenyl)-2-phenylethanone; 2-Bromo-2-phenyl-1-(4-fluorophenyl)-ethanone | 2-Bromo-2-phenyl-1-(4-fluorophenyl)-ethanone

Especificaciones y pureza

≥95%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C, Argon charged

Enviado en

Wet ice

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

Pureza

≥95%

Nombres e identificadores

• Pubchem Sid: 504766268
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504766268
• Sonrisas canónicas: C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)F)Br
• IUPAC Name: 2-bromo-1-(4-fluorophenyl)-2-phenylethanone
• InChIKey: DYTDDALWSRMTDA-UHFFFAOYSA-N
• INCHI: 1S/C14H10BrFO/c15-13(10-4-2-1-3-5-10)14(17)11-6-8-12(16)9-7-11/h1-9,13H
• Isómeros SMILES: C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)F)Br
• Peso molecular: 293.14
• Reaxy-Rn: 3054601
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=3054601&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Phenylpropanoids and polyketides
    • Clase Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Clase: Stilbenes
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Stilbenes
• Alternative Parents: Alkyl-phenylketones Benzoyl derivatives Aryl alkyl ketones Fluorobenzenes Aryl fluorides Alpha-haloketones Organofluorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Alkyl-phenylketone - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Ketone - Alkyl bromide - Organohalogen compound - Organobromide - Organofluoride - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Organic oxygen compound - Alkyl halide - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as stilbenes. These are organic compounds containing a 1,2-diphenylethylene moiety. Stilbenes (C6-C2-C6 ) are derived from the common phenylpropene (C6-C3) skeleton building block. The introduction of one or more hydroxyl groups to a phenyl ring lead to stilbenoids.
• 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

• Punto de ebullición (°C): 356.4±27.0°C at 760 mmHg
• Peso molecular: 293.130 g/mol
• XLogP3: 4.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 291.99 Da
• Monoisotopic Mass: 291.99 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 17
• Formal Charge: 0
• Complexity: 255.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1