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

CAS: 5349-17-7 Cat. No.: B193798 Summenformel: C₇H₇Br₂NO Molekulargewicht: 280.94 EG-Nummer: 621-664-3 PubChem CID: 2776239

GRADE & PURITY ≥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

Übersicht

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.

Specifications

Synonyme

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

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504761932

Pubchem Sid Url

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

Kanonisches Lächeln

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

Isomere SMILES

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

PubChem CID

2776239

Molekulargewicht

280.94

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic oxygen compounds
    • Klasse Organooxygen compounds
      • Subclass Carbonyl compounds
        • Ebene5 Ketones
          • Ebene6 Aryl ketones
            • Ebene7 Aryl alkyl ketones

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

Chemische und physikalische Eigenschaften

• Löslichkeit: Soluble in water.
• Schmelzpunkt (°C): ca 200° dec.
• Molekulargewicht: 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

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