2-Bromo-2′-chloroacetophenone - ≥95% , CAS No.5000-66-8

CAS: 5000-66-8 Cat. No.: B104197 Formula: ClC₆H₄COCH₂Br Peso molecolare: 233.49 Numero EC: 610-492-4

GRADE & PURITY ≥95%

Synonyms

2-bromo-1-(2-chlorophenyl)ethan-1-one | 2-chlorophenacylbromide | 2-Bromo-2'-chloroacetophenone, 95% | 2-chloro phenacylbromide | MFCD00832993 | 2-Bromo-2 inverted exclamation mark -chloroacetophenone | 2-bromo-2'-chloro acetophenone | 2'-Chloro-2-bromoac

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinonimi

2-bromo-1-(2-chlorophenyl)ethan-1-one | 2-chlorophenacylbromide | 2-Bromo-2'-chloroacetophenone, 95% | 2-chloro phenacylbromide | MFCD00832993 | 2-Bromo-2 inverted exclamation mark -chloroacetophenone | 2-bromo-2'-chloro acetophenone | 2'-Chloro-2-bromoac

Specifiche e purezza

≥95%

Condizioni di conservazione di stoccaggio

Store at 2-8°C

Spedito in

Wet ice

Questo prodotto richiede spedizione a catena fredda. I servizi di terra e altri servizi economici non sono disponibili.

Purezza

≥95%

Nomi e identificatori

• Pubchem Sid: 508808293
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/508808293
• Sorrisi canonici: C1=CC=C(C(=C1)C(=O)CBr)Cl
• IUPAC Name: 2-bromo-1-(2-chlorophenyl)ethanone
• InChIKey: WZWWEVCLPKAQTA-UHFFFAOYSA-N
• INCHI: 1S/C8H6BrClO/c9-5-8(11)6-3-1-2-4-7(6)10/h1-4H,5H2
• Isomeri SMILES: C1=CC=C(C(=C1)C(=O)CBr)Cl
• WGK Germania: 3
• Numero UN: 2922
• Peso molecolare: 233.49
• Reaxy-Rn: 637212
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=637212&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 Chlorobenzenes Aryl chlorides Vinylogous halides Alpha-haloketones Organochlorides Organobromides Organic oxides Hydrocarbon derivatives Alkyl bromides
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: Alkyl-phenylketone - Benzoyl - Aryl alkyl ketone - Chlorobenzene - Halobenzene - Aryl chloride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Alpha-haloketone - Vinylogous halide - Organohalogen compound - Hydrocarbon derivative - Organic oxide - Alkyl halide - Organobromide - Organochloride - Alkyl bromide - Aromatic homomonocyclic compound
• Descrizione: 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

Proprietà chimiche e fisiche

• Indice di rifrazione: 1.59
• Punto di infiammabilità (°F): >230 °F
• Punto di infiammabilità (°C): >110 °C
• Punto di ebollizione (°C): 105°C/1mmHg
• Peso molecolare: 233.490 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 231.929 Da
• Monoisotopic Mass: 231.929 Da
• Topological Polar Surface Area: 17.100 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 149.000
• 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