2,3-Dibromopyridine - ≥96% , CAS No.13534-89-9

CAS: 13534-89-9 Cat. No.: D736534 Formule: C₅H₃Br₂N Poids moléculaire: 236.89 Numéro CE: 626-632-2

GRADE & PURITY ≥96%

Storage

Room temperature

Shipped In

Normal

Vue d’ensemble

2,3-Dibromopyridine is a brominated derivative of pyridine, a basic heterocyclic organic compound. It is an important chemical used in various synthesis and research applications.

Product Application：

It is employed as a pharmaceutical intermediate.

Specifications

Spécifications et pureté

≥96%

Conditions de stockage de stockage

Room temperature

Expédié en

Normal

Pureté

≥96%

Noms et identifiants

• Pubchem Sid: 528755289
• Sourires canoniques: C1=CC(=C(N=C1)Br)Br
• IUPAC Name: 2,3-dibromopyridine
• InChIKey: SLMHHOVQRSSRCV-UHFFFAOYSA-N
• INCHI: 1S/C5H3Br2N/c6-4-2-1-3-8-5(4)7/h1-3H
• Isomères SMILES: C1=CC(=C(N=C1)Br)Br
• WGK Allemagne: 3
• Poids moléculaire: 236.89
• Reaxy-Rn: 109828
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=109828&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Classe Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: Pyridines and derivatives
• Subclass: Halopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Polyhalopyridines
• Alternative Parents: 2-halopyridines Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 2-halopyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by 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

Propriétés chimiques et physiques

• Solubilité: Insoluble in water.
• Sensibilité: Moisture sensitive
• Point d'ébullition (°C): 249 °C
• Point de fusion (°C): 59 °C
• Poids moléculaire: 236.890 g/mol
• XLogP3: 2.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 236.861 Da
• Monoisotopic Mass: 234.863 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 76.800
• 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