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

CAS: 626-55-1 Cat. No.: B106977 Molecular Weight: 158 Beilstein Registry Number: 105880 EC Number: 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

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

Specifications & Purity

≥98%

Storage

Protected from light, Room temperature, Argon charged

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 488181607
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181607
• Canonical Smiles: 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
• Isomeric SMILES: C1=CC(=CN=C1)Br
• WGK Germany: 3
• UN Number: 1993
• Molecular Weight: 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
    • Class Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: 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
• Description: 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

Chemical and Physical Properties

• Solubility: Soluble in water (31 g/L at 20°C).
• Sensitivity: light sensitive；Air sensitive
• Refractive Index: 1.569-1.571
• Flash Point(°F): 125.6 °F
• Flash Point(°C): 51 °C
• Boil Point(°C): 173°C
• Melt Point(°C): -27°C
• Molecular Weight: 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

References

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]