3,4-Dibromopyridine - ≥97%(GC) , CAS No.13534-90-2

CAS: 13534-90-2 Cat. No.: D154412 Formule: C₅H₃Br₂N Poids moléculaire: 236.89 Numéro CE: 800-799-3

QUALITÉ & PURETÉ ≥97%(GC)

Synonyms

Pyridine, 3,4-dibromo-|3,4-dibromopyridine|3,4-dibromo-pyridine|3,4-Dibromopyridine98

Storage

Store at 2-8°C

Shipped In

Wet ice

Spécifications

Synonymes

Pyridine, 3,4-dibromo- | 3,4-dibromopyridine | 3,4-dibromo-pyridine | 3,4-Dibromopyridine98

Spécifications et pureté

≥97%(GC)

Conditions de stockage de stockage

Store at 2-8°C

Expédié en

Wet ice

Ce produit nécessite l'expédition en chaîne froide. Les services terrestres et autres services économiques ne sont pas disponibles.

Pureté

≥97%(GC)

Noms et identifiants

Pubchem Sid

504760188

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504760188

Sourires canoniques

C1=CN=CC(=C1Br)Br

IUPAC Name

3,4-dibromopyridine

InChIKey

ZFZWZGANFCWADD-UHFFFAOYSA-N

INCHI

1S/C5H3Br2N/c6-4-1-2-8-3-5(4)7/h1-3H

Isomères SMILES

C1=CN=CC(=C1Br)Br

Poids moléculaire

236.89

Reaxy-Rn

110193

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=110193&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: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Polyhalopyridine - 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

• Point de fusion (°C): 70°C-74°C
• Poids moléculaire: 236.890 g/mol
• XLogP3: 2.200
• 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