2'-Bromoacetanilide - ≥98%(GC) , CAS No.614-76-6

CAS: 614-76-6 Cat. No.: B152714 Fórmula: C₈H₈BrNO Peso molecular: 214.06 Beilstein Registry Number: 12(4)1488 Número EC: 627-343-4

GRADE & PURITY ≥98%(GC)

Synonyms

2-Bromo-N-acetylaniline | 2-bromo-1-acetylaminobenzene | 2-bromo-1-acetylamino-benzene | Acetanilide, 2'-bromo- | BB 0267988 | Tox21_201915 | AC-28505 | AKOS000173478 | o-bromo acetanilide | doi:10.14272/VOBKUOHHOWQHFZ-UHFFFAOYSA-N | H10022 | SS-3087 | In

Storage

Argon charged,Room temperature

Shipped In

Normal

Descripción general

It can be prepared from aniline via bromoacetylation. 2-Bromoacetanilide undergoes bromination in the presence of acetic acid to afford 2,4′-dibromoacetanilide.
It may be used to synthesize: . 2-iodophenylmethylphosphinic acid . substituted biaryl acetamide compounds . benzisoxazolo[2,3-a]pyridinium tetrafluoroborates

Specifications

Sinónimos

2-Bromo-N-acetylaniline | 2-bromo-1-acetylaminobenzene | 2-bromo-1-acetylamino-benzene | Acetanilide, 2'-bromo- | BB 0267988 | Tox21_201915 | AC-28505 | AKOS000173478 | o-bromo acetanilide | doi:10.14272/VOBKUOHHOWQHFZ-UHFFFAOYSA-N | H10022 | SS-3087 | In

Especificaciones y pureza

≥98%(GC)

Condiciones de almacenamiento de almacenamiento

Argon charged,Room temperature

Enviado en

Normal

Pureza

≥98%(GC)

Nombres e identificadores

• Pubchem Sid: 488187874
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187874
• Sonrisas canónicas: CC(=O)NC1=CC=CC=C1Br
• IUPAC Name: N-(2-bromophenyl)acetamide
• InChIKey: VOBKUOHHOWQHFZ-UHFFFAOYSA-N
• INCHI: 1S/C8H8BrNO/c1-6(11)10-8-5-3-2-4-7(8)9/h2-5H,1H3,(H,10,11)
• Isómeros SMILES: CC(=O)NC1=CC=CC=C1Br
• WGK Alemania: 3
• Peso molecular: 214.06
• Beilstein: 12(4)1488
• Reaxy-Rn: 2086970
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2086970&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Benzenoids
    • Clase Benzene and substituted derivatives
      • Subclass Anilides
        • Level5 Acetanilides
          • Level6 Haloacetanilides
            • Level7 O-haloacetanilides

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Clase: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Acetanilides - Haloacetanilides
• Direct Parent: O-haloacetanilides
• Alternative Parents: N-acetylarylamines Bromobenzenes Aryl bromides Acetamides Secondary carboxylic acid amides Organopnictogen compounds Organobromides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic homomonocyclic compounds
• Substituents: O-haloacetanilide - N-acetylarylamine - N-arylamide - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Acetamide - Carboxamide group - Secondary carboxylic acid amide - Carboxylic acid derivative - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Organooxygen compound - Hydrocarbon derivative - Organic oxide - Carbonyl group - Organopnictogen compound - Organic oxygen compound - Aromatic homomonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as o-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn ortho-substituted with a halogen atom.
• 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

Propiedades químicas y físicas

• Sensibilidad: Moisture sensitive
• Punto de fusión (°C): 102 °C
• Peso molecular: 214.060 g/mol
• XLogP3: 1.400
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 212.979 Da
• Monoisotopic Mass: 212.979 Da
• Topological Polar Surface Area: 29.100 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

Preguntas frecuentes

How is this product shipped?

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

What is the purity of this product, and how is it determined?

This product is supplied at ≥98% purity, determined by gas chromatography (GC). 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.

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

The CAS Number is 614-76-6, the molecular formula is C8H8BrNO, and the molecular weight is 214.06 g/mol. InChIKey VOBKUOHHOWQHFZ-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.