4-Bromo-2-phenylpyridine - ≥95% , CAS No.98420-98-5

CAS: 98420-98-5 Cat. No.: B590882 Summenformel: C₁₁H₈NBr Molekulargewicht: 234.09

GRADE & PURITY ≥95%

Synonyms

AKOS015945624 | FT-0748452 | SCHEMBL4803 | DTXSID40542252 | HCQHVQSQHXZRGA-UHFFFAOYSA-N | 2-phenyl-4-bromopyridine | Pyridine, 4-bromo-2-phenyl- | Fudosteine/(R)-2-Amino-3-(3-hydroxypropylthio)propionic acid | A850484 | MFCD11656282 | 4-BROMO-2-PHENYLPYRI

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyme

AKOS015945624 | FT-0748452 | SCHEMBL4803 | DTXSID40542252 | HCQHVQSQHXZRGA-UHFFFAOYSA-N | 2-phenyl-4-bromopyridine | Pyridine, 4-bromo-2-phenyl- | Fudosteine/(R)-2-Amino-3-(3-hydroxypropylthio)propionic acid | A850484 | MFCD11656282 | 4-BROMO-2-PHENYLPYRI

Spezifikationen & Reinheit

≥95%

Storage

Store at 2-8°C,Argon charged

Verschickt in

Wet ice

Dieses Produkt erfordert Kühlkettenversand. Grundversand und andere Economy-Optionen sind nicht verfügbar.

Reinheit

≥95%

Namen und Kennungen

• Kanonisches Lächeln: C1=CC=C(C=C1)C2=NC=CC(=C2)Br
• IUPAC Name: 4-bromo-2-phenylpyridine
• InChIKey: HCQHVQSQHXZRGA-UHFFFAOYSA-N
• INCHI: 1S/C11H8BrN/c12-10-6-7-13-11(8-10)9-4-2-1-3-5-9/h1-8H
• Isomere SMILES: C1=CC=C(C=C1)C2=NC=CC(=C2)Br
• Molekulargewicht: 234.09
• Reaxy-Rn: 6767567
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=6767567&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 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 - 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

• Molekulargewicht: 234.090 g/mol
• XLogP3: 3.500
• 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