4-(Bromoacetyl)pyridine hydrobromide - ≥95% , CAS No.5349-17-7

CAS: 5349-17-7 Cat. No.: B193798 Fórmula: C₇H₇Br₂NO Peso molecular: 280.94 Número CE: 621-664-3 PubChem CID: 2776239

GRAU & PUREZA ≥95%

Synonyms

2-bromo-1-(4-pyridyl)ethanone hydrobromide | 2-bromo-1-(pyridin-4-yl) ethanone hydrobromide | alpha-Bromo-4-acetylpyridine hydrobromide | A829626 | 4-bromoacetylpyridine hydrobromide | 2-bromo-1-(pyridin-4-yl)ethanone hydro bromide | 4-bromoacetyl pyridin

Storage

Room temperature

Shipped In

Normal

Visão geral

application：

Design and synthesis of potent, selective, and orally bioavailable tetrasubstituted imidazole inhibitors of p38 mitogen-activated protein kinase 4-(Bromoacetyl)pyridine hydrobromide was used to prepare 2-Phenyl-4-(4-pyridyl)imidazole.

Especificações

Sinónimos

2-bromo-1-(4-pyridyl)ethanone hydrobromide | 2-bromo-1-(pyridin-4-yl) ethanone hydrobromide | alpha-Bromo-4-acetylpyridine hydrobromide | A829626 | 4-bromoacetylpyridine hydrobromide | 2-bromo-1-(pyridin-4-yl)ethanone hydro bromide | 4-bromoacetyl pyridin

Especificações e pureza

≥95%

Condições de armazenamento de armazenamento

Room temperature

Enviado em

Normal

Pureza

≥95%

Nomes e identificadores

Pubchem Sid

504761932

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761932

Sorrisos canónicos

C1=CN=CC=C1C(=O)CBr.Br

IUPAC Name

2-bromo-1-pyridin-4-ylethanone;hydrobromide

InChIKey

RGALBQILADNMKA-UHFFFAOYSA-N

INCHI

1S/C7H6BrNO.BrH/c8-5-7(10)6-1-3-9-4-2-6;/h1-4H,5H2;1H

SMILES isoméricas

C1=CN=CC=C1C(=O)CBr.Br

PubChem CID

2776239

Peso molecular

280.94

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Classe Organooxygen compounds
      • Subclass Carbonyl compounds
        • Level5 Ketones
          • Level6 Aryl ketones
            • Level7 Aryl alkyl ketones

• Kingdom: Organic compounds
• Superclass: Organic oxygen compounds
• Classe: Organooxygen compounds
• Subclass: Carbonyl compounds
• Intermediate Tree Nodes: Ketones - Aryl ketones
• Direct Parent: Aryl alkyl ketones
• Alternative Parents: Pyridines and derivatives Heteroaromatic compounds Alpha-haloketones Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Organic oxides Hydrocarbon derivatives Hydrobromides Alkyl bromides
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Aryl alkyl ketone - Pyridine - Alpha-haloketone - Heteroaromatic compound - Organoheterocyclic compound - Azacycle - Alkyl bromide - Hydrocarbon derivative - Hydrobromide - Organic oxide - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Organobromide - Organohalogen compound - Alkyl halide - Aromatic heteromonocyclic compound
• Descrição: This compound belongs to the class of organic compounds known as aryl alkyl ketones. These are ketones have the generic structure RC(=O)R', where R = aryl group and R'=alkyl 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

Propriedades químicas e físicas

• Solubilidade: Soluble in water.
• Ponto de fusão (°C): ca 200° dec.
• Peso molecular: 280.940 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 280.887 Da
• Monoisotopic Mass: 278.889 Da
• Topological Polar Surface Area: 30.000 Ų
• Heavy Atom Count: 11
• Formal Charge: 0
• Complexity: 121.000
• 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: 2

XLogP3