2-Bromophenacyl Bromide - ≥97% , CAS No.49851-55-0

CAS: 49851-55-0 Cat. No.: B151941 Formule: C₈H₆Br₂O Poids moléculaire: 277.94 Numéro CE: 689-312-1

GRADE & PURITY ≥97%

Synonyms

2-Bromo-2'-bromoacetophenone | bromphenacyl bromide | EN300-01887 | MFCD00044660 | CK2304 | DTXSID10372109 | SCHEMBL166468 | B4124 | 2-bromo-1-(2-bromophenyl)ethanone | 2-Bromo-1-(2-bromo-phenyl)-ethanone | 2-bromo-1-(2-bromophenyl)-ethanone | 2-Bromo-1-(

Storage

Argon charged,Room temperature

Shipped In

Normal

Vue d’ensemble

2,2'-Dibromoacetophenone is used in the preparation of 4-phenylthiazol-2(3H)-one derivatives as anticonvulsant agents.

Specifications

Synonymes

2-Bromo-2'-bromoacetophenone | bromphenacyl bromide | EN300-01887 | MFCD00044660 | CK2304 | DTXSID10372109 | SCHEMBL166468 | B4124 | 2-bromo-1-(2-bromophenyl)ethanone | 2-Bromo-1-(2-bromo-phenyl)-ethanone | 2-bromo-1-(2-bromophenyl)-ethanone | 2-Bromo-1-(

Spécifications et pureté

≥97%

Conditions de stockage de stockage

Argon charged,Room temperature

Expédié en

Normal

Pureté

≥97%

Noms et identifiants

• Pubchem Sid: 488192904
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192904
• Sourires canoniques: C1=CC=C(C(=C1)C(=O)CBr)Br
• IUPAC Name: 2-bromo-1-(2-bromophenyl)ethanone
• InChIKey: LAXPJIJQTHJGCK-UHFFFAOYSA-N
• INCHI: 1S/C8H6Br2O/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2
• Isomères SMILES: C1=CC=C(C(=C1)C(=O)CBr)Br
• Poids moléculaire: 277.94
• Reaxy-Rn: 386753
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=386753&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 Vinylogous halides Alpha-haloketones Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Vinylogous halide - Alkyl halide - Hydrocarbon derivative - Organic oxide - Alkyl bromide - Organobromide - 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

• Sensibilité: light sensitive; Moisture sensitive
• Indice de réfraction: 1.6100 to 1.6140
• Point d'éclair (°C): 108 °C
• Point d'ébullition (°C): 100°C/1.5mmHg
• 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

Foire aux questions

What is the purity of this product?

This product is supplied at ≥97% purity (chemical assay). Lot-specific values are stated on the Certificate of Analysis.

How should this product be stored?

Store at room temperature under argon. It is supplied under an argon blanket; reseal under inert gas after each use.

How is this product shipped?

This product ships under standard ambient conditions. No temperature-controlled packaging is required.

What are the CAS number, molecular formula and molecular weight?

The CAS Number is 49851-55-0, the molecular formula is C8H6Br2O, and the molecular weight is 277.94 g/mol. InChIKey LAXPJIJQTHJGCK-UHFFFAOYSA-N.

What documentation is provided?

Available product documentation, including Certificates of Analysis (COA), Safety Data Sheets (SDS), and specification sheets, is shown in the product document area. Document availability and access follow the current site policy.