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

CAS: 2142-69-0 Cat. No.: B121858 Formule: C₈H₇BrO Poids moléculaire: 199.04 Beilstein Registry Number: 1931534 Numéro CE: 218-398-1

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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 Afficher plus

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

Pubchem Sid

504754901

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

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

WGK Allemagne

3

Poids moléculaire

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
    • 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: 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
• 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

Propriétés chimiques et physiques

• Indice de réfraction: 1.568
• Point d'éclair (°F): 230 °F
• Point d'éclair (°C): >110°(230°F)
• Point d'ébullition (°C): 116-117°C/12mm
• Poids moléculaire: 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