4'-Bromoacetanilide - ≥98%(GC) , CAS No.103-88-8

CAS: 103-88-8 Cat. No.: B152718 Formule: C₈H₈BrNO Poids moléculaire: 214.06 Beilstein Registry Number: 2208090 Numéro CE: 203-154-9

GRADE & PURITY ≥98%(GC)

Synonyms

SY049651 | 4/'-Bromoacetanilide | Acetamide, N-(p-bromophenyl)- | NCIOpen2_007075 | p-Bromo-N-acetanilide | AMY24793 | p-Bromoacetanilide | P-BROMOACETANILIDE [MI] | SCHEMBL9674 | N-Acetyl-4-bromoaniline | Z27786822 | AKOS000201828 | NSC 105442 | DTXSID60

Storage

Room temperature

Shipped In

Normal

Specifications

Synonymes

SY049651 | 4/'-Bromoacetanilide | Acetamide, N-(p-bromophenyl)- | NCIOpen2_007075 | p-Bromo-N-acetanilide | AMY24793 | p-Bromoacetanilide | P-BROMOACETANILIDE [MI] | SCHEMBL9674 | N-Acetyl-4-bromoaniline | Z27786822 | AKOS000201828 | NSC 105442 | DTXSID60

Spécifications et pureté

≥98%(GC)

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥98%(GC)

Noms et identifiants

• Pubchem Sid: 488180525
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488180525
• Sourires canoniques: CC(=O)NC1=CC=C(C=C1)Br
• IUPAC Name: N-(4-bromophenyl)acetamide
• InChIKey: MSLICLMCQYQNPK-UHFFFAOYSA-N
• INCHI: 1S/C8H8BrNO/c1-6(11)10-8-4-2-7(9)3-5-8/h2-5H,1H3,(H,10,11)
• Isomères SMILES: CC(=O)NC1=CC=C(C=C1)Br
• WGK Allemagne: 3
• RTECS: AD9625000
• Poids moléculaire: 214.06
• Beilstein: 2208090
• Reaxy-Rn: 2208091
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=2208091&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Benzenoids
• Classe: Benzene and substituted derivatives
• Subclass: Anilides
• Intermediate Tree Nodes: Acetanilides - Haloacetanilides
• Direct Parent: P-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: P-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
• Description: This compound belongs to the class of organic compounds known as p-haloacetanilides. These are organic compounds containing an acetamide group conjugated to a phenyl group, which is in turn para-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

Cibles associées (humaines)

ALB Tchem Serum albumin (2651 Activities)

Discover Target: ALB

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mécanismes d'action

Propriétés chimiques et physiques

• Point de fusion (°C): 168 °C
• Poids moléculaire: 214.060 g/mol
• XLogP3: 2.300
• 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: 141.000
• 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

Références

1. Hao Wu, Jingkang Wang, Qi Liu, Shuyi Zong, Beiqian Tian, Xin Huang, Ting Wang, Qiuxiang Yin, Hongxun Hao.  (2020)  Influences and the Mechanism of Additives on Intensifying Nucleation and Growth of p-Methylacetanilide.  CRYSTAL GROWTH & DESIGN,      [PMID:] [10.1021/acs.cgd.9b01325]

Foire aux questions

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.

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 103-88-8, the molecular formula is C8H8BrNO, and the molecular weight is 214.06 g/mol. InChIKey MSLICLMCQYQNPK-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.