4-bromofenilcetona bencílica - ≥97% , CAS No.2001-29-8

CAS: 2001-29-8 Cat. No.: B152125 Peso molecular: 275.15

GRADE & PURITY ≥97%

Synonyms

AH-034/01393018 | 1-(4-Bromo-phenyl)-2-phenyl-ethanone | 1-(4-Bromophenyl)-2-phenylethanone | 1-(4-Bromophenyl)-2-phenylethanone # | benzyl 4-brornophenyl ketone | HMS1530D05 | D70861 | FT-0622765 | phenyl-(phenylmethyl)bromanuidylmethanone | AB90876 | MF

Storage

Conservar a 2-8°C

Shipped In

Hielo húmedo

Specifications

Sinónimos

AH-034/01393018 | 1-(4-Bromo-phenyl)-2-phenyl-ethanone | 1-(4-Bromophenyl)-2-phenylethanone | 1-(4-Bromophenyl)-2-phenylethanone # | benzyl 4-brornophenyl ketone | HMS1530D05 | D70861 | FT-0622765 | phenyl-(phenylmethyl)bromanuidylmethanone | AB90876 | MF

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Conservar a 2-8°C

Enviado en

Hielo húmedo

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 504759042
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759042
• Sonrisas canónicas: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Br
• IUPAC Name: 1-(4-bromophenyl)-2-phenylethanone
• InChIKey: MOSIKPSTRPODHQ-UHFFFAOYSA-N
• INCHI: 1S/C14H11BrO/c15-13-8-6-12(7-9-13)14(16)10-11-4-2-1-3-5-11/h1-9H,10H2
• Isómeros SMILES: C1=CC=C(C=C1)CC(=O)C2=CC=C(C=C2)Br
• WGK Alemania: 3
• Peso molecular: 275.15
• Reaxy-Rn: 2211322
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2211322&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 Bromobenzenes Aryl bromides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Stilbene - Alkyl-phenylketone - Phenylketone - Aryl alkyl ketone - Aryl ketone - Benzoyl - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Ketone - Organic oxygen compound - Organohalogen compound - Organobromide - Organooxygen compound - Hydrocarbon derivative - Organic oxide - 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 fusión (°C): 112-116 °C
• Peso molecular: 275.140 g/mol
• XLogP3: 3.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 273.999 Da
• Monoisotopic Mass: 273.999 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 225.000
• 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