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

CAS: 13534-90-2 Cat. No.: D154412 Formula: C₅H₃Br₂N Molecular Weight: 236.89 EC Number: 800-799-3

GRADE & PURITY ≥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

Specifications

Synonyms

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

Specifications & Purity

≥97%(GC)

Storage

Store at 2-8°C

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥97%(GC)

Names and Identifiers

Pubchem Sid

504760188

Pubchem Sid Url

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

Canonical Smiles

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

Isomeric SMILES

C1=CN=CC(=C1Br)Br

Molecular Weight

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
    • Class Pyridines and derivatives
      • Subclass Halopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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

Chemical and Physical Properties

• Melt Point(°C): 70°C-74°C
• Molecular Weight: 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