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

CAS: 88675-31-4 Cat. No.: B304836 Formula: C₁₄H₁₀BrFO Peso molecolare: 293.14 Numero 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

Sinonimi

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

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C,Argon charged

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

Pubchem Sid

504766268

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504766268

Sorrisi canonici

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

Isomeri SMILES

C1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)F)Br

Peso molecolare

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
    • Classe Stilbenes

• Kingdom: Organic compounds
• Superclass: Phenylpropanoids and polyketides
• Classe: 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
• Descrizione: 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

Proprietà chimiche e fisiche

• Punto di ebollizione (°C): 356.4±27.0°C at 760 mmHg
• Peso molecolare: 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