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

CAS: 18523-22-3 Cat. No.: B132809 Summenformel: BrC₆H₄COCH₂Br Molekulargewicht: 277.94 EG-Nummer: 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

Übersicht

Anwendung

3-Bromphenacylbromid ist ein nützliches Zwischenprodukt für die pharmazeutische und organische Synthese.

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥97%

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

• Pubchem Sid: 504759034
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504759034
• Kanonisches Lächeln: 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
• Isomere SMILES: C1=CC(=CC(=C1)Br)C(=O)CBr
• WGK Deutschland: 3
• UN-Nummer: 3261
• Verpackungsgruppe: II
• Molekulargewicht: 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
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Phenylketones
              • Ebene8 Alkyl-phenylketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Klasse: 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
• Beschreibung: 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

Chemische und physikalische Eigenschaften

• Löslichkeit: Insoluble in water.
• Empfindlichkeit: light sensitive;Moisture sensitive
• Flammpunkt (°F): >230 °F
• Flammpunkt (°C): >110 °C
• Schmelzpunkt (°C): 52 °C
• Molekulargewicht: 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