2,3′-Dibromoacetophenone - ≥97% , CAS No.18523-22-3

CAS: 18523-22-3 Cat. No.: B132809 Formule: BrC₆H₄COCH₂Br Poids moléculaire: 277.94 Numéro CE: 629-245-7

GRADE & PURITY ≥97%

Synonyms

SCHEMBL316026 | SY014721 | A812935 | 2,3'-Dibromoacetophenone, 97% | 3-Bromophenacylbromide | 2-bromo-1-(3-bromophenyl)ethan-1-one | m-bromophenacyl bromide | Ethanone, 2-bromo-1-(3-bromophenyl)- | FT-0615235 | PS-10009 | J-011877 | 2,3 inverted exclamati

Storage

Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

Application

3-Bromophenacyl bromide is a useful intermediate for pharmaceutical and organic synthesis.

Specifications

Synonymes

SCHEMBL316026 | SY014721 | A812935 | 2,3'-Dibromoacetophenone, 97% | 3-Bromophenacylbromide | 2-bromo-1-(3-bromophenyl)ethan-1-one | m-bromophenacyl bromide | Ethanone, 2-bromo-1-(3-bromophenyl)- | FT-0615235 | PS-10009 | J-011877 | 2,3 inverted exclamati

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 504759034
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759034
• Sourires canoniques: C1=CC(=CC(=C1)Br)C(=O)CBr
• IUPAC Name: 2-bromo-1-(3-bromophenyl)ethanone
• InChIKey: MZBXSQBQPJWECM-UHFFFAOYSA-N
• INCHI: 1S/C8H6Br2O/c9-5-8(11)6-2-1-3-7(10)4-6/h1-4H,5H2
• Isomères SMILES: C1=CC(=CC(=C1)Br)C(=O)CBr
• WGK Allemagne: 3
• Numéro ONU: 3261
• Groupe d'emballage: II
• Poids moléculaire: 277.94
• Reaxy-Rn: 775786
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=775786&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: Benzoyl derivatives Aryl alkyl ketones Bromobenzenes Aryl bromides Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Alpha-haloketone - Organobromide - Organohalogen compound - Alkyl halide - Alkyl bromide - Organic oxide - Hydrocarbon derivative - 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

• Solubilité: Insoluble in water.
• Sensibilité: light sensitive;Moisture sensitive
• Point d'éclair (°F): >230 °F
• Point d'éclair (°C): >110 °C
• Point de fusion (°C): 52 °C
• Poids moléculaire: 277.940 g/mol
• XLogP3: 3.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 277.876 Da
• Monoisotopic Mass: 275.879 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 147.000
• 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