3-(4-Bromophenyl)pyridine - ≥96%(GC) , CAS No.129013-83-8

CAS: 129013-83-8 Cat. No.: B152396 Peso molecular: 234.1 Número EC: 807-991-6

GRADE & PURITY ≥96%(GC)

Synonyms

EN300-316959 | 3-(4-Bromo-phenyl)-pyridine | AM62646 | DTXSID50363915 | MFCD04116232 | 3-(4-bromophenyl)pyridine | Pyridine, 3-(4-bromophenyl)- | 4-(Pyridin-3-yl)bromobenzene | BCP22874 | A846193 | SY047650 | 4-(pyrid-3-yl)bromobenzene | FCHUOBPHXDXZBK-UH

Storage

Store at 2-8°C

Shipped In

Wet ice

Specifications

Sinónimos

EN300-316959 | 3-(4-Bromo-phenyl)-pyridine | AM62646 | DTXSID50363915 | MFCD04116232 | 3-(4-bromophenyl)pyridine | Pyridine, 3-(4-bromophenyl)- | 4-(Pyridin-3-yl)bromobenzene | BCP22874 | A846193 | SY047650 | 4-(pyrid-3-yl)bromobenzene | FCHUOBPHXDXZBK-UH

Especificaciones y pureza

≥96%(GC)

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Pureza

≥96%(GC)

Nombres e identificadores

• Pubchem Sid: 504760559
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/504760559
• Sonrisas canónicas: C1=CC(=CN=C1)C2=CC=C(C=C2)Br
• IUPAC Name: 3-(4-bromophenyl)pyridine
• InChIKey: FCHUOBPHXDXZBK-UHFFFAOYSA-N
• INCHI: 1S/C11H8BrN/c12-11-5-3-9(4-6-11)10-2-1-7-13-8-10/h1-8H
• Isómeros SMILES: C1=CC(=CN=C1)C2=CC=C(C=C2)Br
• Peso molecular: 234.1
• Reaxy-Rn: 1423730
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1423730&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Phenylpyridines
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenylpyridines
• Alternative Parents: Bromobenzenes Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 3-phenylpyridine - Bromobenzene - Halobenzene - Aryl bromide - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Azacycle - Organobromide - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic nitrogen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: 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

Propiedades químicas y físicas

• Punto de inflamación (°C): 155 °C
• Punto de fusión (°C): 40 °C
• Peso molecular: 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: 152.000
• 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