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

CAS: 614-76-6 Cat. No.: B152714 Summenformel: C₈H₈BrNO Molekulargewicht: 214.06 Beilstein Registry Number: 12(4)1488 EG-Nummer: 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

Übersicht

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

Synonyme

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

Spezifikationen & Reinheit

≥98%(GC)

Storage

Argon charged,Room temperature

Verschickt in

Normal

Reinheit

≥98%(GC)

Namen und Kennungen

• Pubchem Sid: 488187874
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488187874
• Kanonisches Lächeln: 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)
• Isomere SMILES: CC(=O)NC1=CC=CC=C1Br
• WGK Deutschland: 3
• Molekulargewicht: 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
    • Klasse Benzene and substituted derivatives
      • Subclass Anilides
        • Ebene5 Acetanilides
          • Ebene6 Haloacetanilides
            • Ebene7 O-haloacetanilides

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

Chemische und physikalische Eigenschaften

• Empfindlichkeit: Moisture sensitive
• Schmelzpunkt (°C): 102 °C
• Molekulargewicht: 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

Häufig gestellte Fragen

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.