5-Bromo-2-phenylpyridine - ≥95% , CAS No.27012-25-5

CAS: 27012-25-5 Cat. No.: B119892 Summenformel: C₁₁H₈BrN Molekulargewicht: 234.1 EG-Nummer: 681-730-2

GRADE & PURITY ≥95%

Synonyms

MFCD04114181 | FT-0703190 | 3-BROMO-6-PHENYLPYRIDINE | J-516991 | B5018 | 5-bromo-2-phenylpyridine | 5-bromo-2-phenyl-pyridine | A846194 | SCHEMBL1182292 | 2-Phenyl-5-bromopyridine | 3-(2-Ethoxycarbonyl-ethyl)-5-methyl-1H-pyrrole-2-carboxylicacidethyleste

Storage

Room temperature

Shipped In

Normal

Übersicht

5-Bromo-2-phenylpyridine is used as a ligand in coordination chemistry and reacts with iridium(III) chloride to get in tris-heteroleptic Iridium(III), which finds application as phosphorescent (triplet) emitters in organic light-emitting diodes (OLEDs) due to its self-emitting nature, fast response, wide viewing angle and low power consumption.

Specifications

Synonyme

MFCD04114181 | FT-0703190 | 3-BROMO-6-PHENYLPYRIDINE | J-516991 | B5018 | 5-bromo-2-phenylpyridine | 5-bromo-2-phenyl-pyridine | A846194 | SCHEMBL1182292 | 2-Phenyl-5-bromopyridine | 3-(2-Ethoxycarbonyl-ethyl)-5-methyl-1H-pyrrole-2-carboxylicacidethyleste

Spezifikationen & Reinheit

≥95%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥95%

Namen und Kennungen

Pubchem Sid

504761695

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/504761695

Kanonisches Lächeln

C1=CC=C(C=C1)C2=NC=C(C=C2)Br

IUPAC Name

5-bromo-2-phenylpyridine

InChIKey

PRNGIODVYLTUKH-UHFFFAOYSA-N

INCHI

1S/C11H8BrN/c12-10-6-7-11(13-8-10)9-4-2-1-3-5-9/h1-8H

Isomere SMILES

C1=CC=C(C=C1)C2=NC=C(C=C2)Br

Molekulargewicht

234.1

Reaxy-Rn

4663206

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4663206&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Klasse Pyridines and derivatives
      • Subclass Phenylpyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Benzene and substituted derivatives Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2-phenylpyridine - Benzenoid - Monocyclic benzene moiety - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as phenylpyridines. These are polycyclic aromatic compounds containing a benzene ring linked to a pyridine ring through a CC or CN bond.
• 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 ethyl ether.
• Schmelzpunkt (°C): 73-75°C
• Molekulargewicht: 234.090 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 232.984 Da
• Monoisotopic Mass: 232.984 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 13
• Formal Charge: 0
• Complexity: 154.000
• 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