5,5'-Dibromo-2,2'-bipyridyl - ≥98%(HPLC) , CAS No.15862-18-7

CAS: 15862-18-7 Cat. No.: D155836 Molecular Weight: 313.98 EC Number: 805-821-5

GRADE & PURITY ≥98%(HPLC)

Synonyms

5,5'-DIBROMO-2,2'-BIPYRIDYL | SCHEMBL40864 | 5,5 inverted exclamation mark -Dibromo-2,2 inverted exclamation mark -bipyridyl | 5-bromo-2-(5-bromopyridin-2-yl)pyridine | FT-0753888 | A846198 | YSWG112 | JNWPRPLNUUMYCM-UHFFFAOYSA-N | BBL103930 | MFCD0665788

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

5, 5'-DIBROMO-2, 2'-BIPYRIDYL | SCHEMBL40864 | 5, 5 inverted exclamation mark -Dibromo-2, 2 inverted exclamation mark -bipyridyl | 5-bromo-2-(5-bromopyridin-2-yl)pyridine | FT-0753888 | A846198 | YSWG112 | JNWPRPLNUUMYCM-UHFFFAOYSA-N | BBL103930 | MFCD0665788

Specifications & Purity

≥98%(HPLC)

Storage

Room temperature

Shipped In

Normal

Purity

≥98%(HPLC)

Names and Identifiers

• Pubchem Sid: 504765704
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504765704
• Canonical Smiles: C1=CC(=NC=C1Br)C2=NC=C(C=C2)Br
• IUPAC Name: 5-bromo-2-(5-bromopyridin-2-yl)pyridine
• InChIKey: JNWPRPLNUUMYCM-UHFFFAOYSA-N
• INCHI: 1S/C10H6Br2N2/c11-7-1-3-9(13-5-7)10-4-2-8(12)6-14-10/h1-6H
• Isomeric SMILES: C1=CC(=NC=C1Br)C2=NC=C(C=C2)Br
• Molecular Weight: 313.98
• Reaxy-Rn: 138187
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=138187&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Bipyridines and oligopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Bipyridines and oligopyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Bipyridines and oligopyridines
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Bipyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as bipyridines and oligopyridines. These are organic compounds containing two pyridine rings linked to each other.
• 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): 228℃
• Molecular Weight: 313.980 g/mol
• XLogP3: 2.900
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 313.888 Da
• Monoisotopic Mass: 311.89 Da
• Topological Polar Surface Area: 25.800 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 169.000
• 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: 1

References

1. Hongzhi Hu, Yanshu Zhang, Yufei Hu, Ling Xia, Gongke Li.  (2024)  Silver nanoparticles modified sulfur-containing POSS polymer membrane substrate for adsorption and surface-enhanced Raman scattering analysis of chrysoidine in food samples.  TALANTA,      [PMID:38218057] [10.1016/j.talanta.2024.125653]