2′-Bromoacetophenone - ≥98%(GC) , CAS No.2142-69-0

CAS: 2142-69-0 Cat. No.: B121858 Fórmula: C₈H₇BrO Peso molecular: 199.04 Beilstein Registry Number: 1931534 Número EC: 218-398-1

CALIDAD & PUREZA ≥98%(GC)

Synonyms

2-Acetylbromobenzene|Ethanone, 1-(2-bromophenyl)-|2`-Bromoacetophenone|1-(2-Bromophenyl)ethanone|1-(2-bromo-phenyl)ethanone|1-(2-bromo-phenyl)-ethanone|s-Triazine, 2-(sec-butylamino)-4-chloro-6-(ethylamino)-|2'bromoacetophenone|2'-Bromoacetophenone|Acrylic acid, butoxyethyl ester|1-(2-bromomphenyl)ethanone|Acetophenone, 2'-bromo-|2'-bromoacetophenon|o-Bromophenyl methyl ketone|ortho-bromoacetophenone|2-Methyl quinoxaline|o-Bromoacetophenone|1-Acetyl-2-bromobenzene|Acetophenone, o-bromo-

Storage

Room temperature

Shipped In

Normal

Especificaciones

Sinónimos

2-Acetylbromobenzene | Ethanone, 1-(2-bromophenyl)- | 2`-Bromoacetophenone | 1-(2-Bromophenyl)ethanone | 1-(2-bromo-phenyl)ethanone | 1-(2-bromo-phenyl)-ethanone | s-Triazine, 2-(sec-butylamino)-4-chloro-6-(ethylamino)- | 2'bromoacetophenone | 2'-Bromoacetophenone | Acrylic acid, butoxyethyl ester | 1-(2-bromomphenyl)ethanone | Acetopheno Show more

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

Pubchem Sid

504754901

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504754901

Sonrisas canónicas

CC(=O)C1=CC=CC=C1Br

IUPAC Name

1-(2-bromophenyl)ethanone

InChIKey

PIMNFNXBTGPCIL-UHFFFAOYSA-N

INCHI

1S/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3

Isómeros SMILES

CC(=O)C1=CC=CC=C1Br

WGK Alemania

3

Peso molecular

199.04

Beilstein

1931534

Reaxy-Rn

1931534

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1931534&ln=

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: Acetophenones Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Aryl bromides Vinylogous halides Organobromides Organic oxides Hydrocarbon derivatives
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Acetophenone - Aryl alkyl ketone - Benzoyl - Halobenzene - Bromobenzene - Aryl bromide - Aryl halide - Benzenoid - Monocyclic benzene moiety - Vinylogous halide - Organobromide - Organic oxide - Hydrocarbon derivative - Organohalogen compound - 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

• Índice de refracción: 1.568
• Punto de inflamación (°F): 230 °F
• Punto de inflamación (°C): >110°(230°F)
• Punto de ebullición (°C): 116-117°C/12mm
• Peso molecular: 199.040 g/mol
• XLogP3: 2.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 197.968 Da
• Monoisotopic Mass: 197.968 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 10
• Formal Charge: 0
• Complexity: 133.000
• 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