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

CAS: 626-55-1 Cat. No.: B106977 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

Referencias

1. Wentong Gao, Wenlu Wu, Shihai Cao, Bing Han, Nengquan Li.  (2022)  A simple bipolar host material based on triphenylamine and pyridine featuring σ-linkage for efficient solution-processed phosphorescent organic light-emitting diodes.  OPTICAL MATERIALS,      [PMID:] [10.1016/j.optmat.2022.112871]

2. Qinrui Fu, Yuan Meng, Zilin Fang, Quanqin Hu, Liang Xu, Wenhua Gao, Xiaochun Huang, Qiao Xue, Ya-Ping Sun, Fushen Lu.  (2017)  Boron Nitride Nanosheet-Anchored Pd–Fe Core–Shell Nanoparticles as Highly Efficient Catalysts for Suzuki–Miyaura Coupling Reactions.  ACS Applied Materials & Interfaces,      [PMID:28051299] [10.1021/acsami.6b13570]

3. Feiyang Hu, Zhiwen Cui, Zhen Dong, Liyuan Jiang, Nwaji Njemuwa Njoku, Wenzhang Dong, Hao Fan, Mahalingam Ravivarma, Jianbao Wu, Duanyang Kong, Jiangxuan Song.  (2025)  Zwitterionic gemini additive as interface engineers for long-life aqueous Zn/TEMPO flow batteries with enhanced areal capacity.  Energy Materials,  5  (7): (N).  [PMID:] [10.20517/energymater.2024.161]