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

CAS: 2142-69-0 Cat. No.: B121858 Formula: C₈H₇BrO Peso molecolare: 199.04 Beilstein Registry Number: 1931534 Numero EC: 218-398-1

QUALITÀ & PUREZZA ≥98%(GC)

Synonyms

DTXSID2045571 | B0538 | 2-Acetylbromobenzene | EINECS 218-398-1 | InChI=1/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3 | Ethanone, 1-(2-bromophenyl)- | NSC155380 | NSC-155380 | SY002108 | 2`-Bromoacetophenone | DS-1186 | 1-(2-Bromophenyl)ethanone | 1-(2-brom

Storage

Room temperature

Shipped In

Normal

Specifiche

Sinonimi

DTXSID2045571 | B0538 | 2-Acetylbromobenzene | EINECS 218-398-1 | InChI=1/C8H7BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-5H,1H3 | Ethanone, 1-(2-bromophenyl)- | NSC155380 | NSC-155380 | SY002108 | 2`-Bromoacetophenone | DS-1186 | 1-(2-Bromophenyl)ethanone | 1-(2-brom

Specifiche e purezza

≥98%(GC)

Condizioni di conservazione di stoccaggio

Room temperature

Spedito in

Normal

Purezza

≥98%(GC)

Nomi e identificatori

Pubchem Sid

504754901

Pubchem Sid Url

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

Sorrisi canonici

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

Isomeri SMILES

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

WGK Germania

3

Peso molecolare

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
• 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: 1.568
• Punto di infiammabilità (°F): 230 °F
• Punto di infiammabilità (°C): >110°(230°F)
• Punto di ebollizione (°C): 116-117°C/12mm
• Peso molecolare: 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