3-Bromopyridine - ≥98% , CAS No.626-55-1

CAS: 626-55-1 Cat. No.: B106977 Fórmula: C₅H₄BrN Peso molecular: 158 Beilstein Registry Number: 105880 Número EC: 210-952-0

GRADE & PURITY ≥98%

Synonyms

PYRIDIN-3-YL BROMIDE | UNII-XMN8H2XE9H | 3-bromopyridin | CHEBI:51575 | XMN8H2XE9H | C5H4BrN | FT-0615250 | 5-bromopyridine | 5-bromo-pyridine | 3-bromopryidine | BCP22223 | 3-Bromopyridine, 99% | AB00739 | AM20061386 | CX1091 | BBL027581 | 3-bromo pyridi

Storage

Protected from light,Room temperature,Argon charged

Shipped In

Normal

Specifications

Sinónimos

PYRIDIN-3-YL BROMIDE | UNII-XMN8H2XE9H | 3-bromopyridin | CHEBI:51575 | XMN8H2XE9H | C5H4BrN | FT-0615250 | 5-bromopyridine | 5-bromo-pyridine | 3-bromopryidine | BCP22223 | 3-Bromopyridine, 99% | AB00739 | AM20061386 | CX1091 | BBL027581 | 3-bromo pyridi

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Protected from light,Room temperature,Argon charged

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

Pubchem Sid

488181607

Pubchem Sid Url

https://pubchem.ncbi.nlm.nih.gov/substance/488181607

Sonrisas canónicas

C1=CC(=CN=C1)Br

IUPAC Name

3-bromopyridine

InChIKey

NYPYPOZNGOXYSU-UHFFFAOYSA-N

INCHI

1S/C5H4BrN/c6-5-2-1-3-7-4-5/h1-4H

Isómeros SMILES

C1=CC(=CN=C1)Br

WGK Alemania

3

Número ONU

1993

Peso molecular

158

Beilstein

105880

Reaxy-Rn

105880

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105880&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Pyridines and derivatives
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridines and derivatives
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organopnictogen compounds Organonitrogen compounds Organobromides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridine - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Organopnictogen compound - Hydrocarbon derivative - Organonitrogen compound - Organobromide - Organohalogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms.
• External Descriptors: monobromopyridine

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

• Solubilidad: Soluble in water (31 g/L at 20°C).
• Sensibilidad: light sensitive；Air sensitive
• Índice de refracción: 1.569-1.571
• Punto de inflamación (°F): 125.6 °F
• Punto de inflamación (°C): 51 °C
• Punto de ebullición (°C): 173°C
• Punto de fusión (°C): -27°C
• Peso molecular: 158.000 g/mol
• XLogP3: 1.600
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 156.953 Da
• Monoisotopic Mass: 156.953 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 56.000
• 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