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

CAS: 626-55-1 Cat. No.: B106977 Formule: C₅H₄BrN Poids moléculaire: 158 Beilstein Registry Number: 105880 Numéro CE: 210-952-0

QUALITÉ & PURETÉ ≥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

Spécifications

Synonymes

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

Spécifications et pureté

≥98%

Conditions de stockage de stockage

Protected from light,Room temperature,Argon charged

Expédié en

Normal

Pureté

≥98%

Noms et identifiants

Pubchem Sid

488181607

Pubchem Sid Url

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

Sourires canoniques

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

Isomères SMILES

C1=CC(=CN=C1)Br

WGK Allemagne

3

Numéro ONU

1993

Poids moléculaire

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
    • Classe Pyridines and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Classe: 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

Propriétés chimiques et physiques

• Solubilité: Soluble in water (31 g/L at 20°C).
• Sensibilité: light sensitive；Air sensitive
• Indice de réfraction: 1.569-1.571
• Point d'éclair (°F): 125.6 °F
• Point d'éclair (°C): 51 °C
• Point d'ébullition (°C): 173°C
• Point de fusion (°C): -27°C
• Poids moléculaire: 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