4-Bromopyridine Hydrobromide - ≥98% , CAS No.74129-11-6

CAS: 74129-11-6 Cat. No.: B152112 Molecular Weight: 238.91 EC Number: 677-972-3 PubChem CID: 44630127

GRADE & PURITY ≥98%

Synonyms

DTXSID50659860 | SCHEMBL1446624 | B1171 | 4-Bromopyridine--hydrogen bromide (1/1) | AKOS015833541 | 4-Brompyridinhydrobromid | Pyridine, 4-bromo-, hydrobromide | 4-Bromopyridine Hydrobromide | 4-bromo-Pyridine hydrobromide (1:1) | 4-bromopyridine;hydrobro

Storage

Store at 2-8°C,Argon charged

Shipped In

Wet ice

Specifications

Synonyms

DTXSID50659860 | SCHEMBL1446624 | B1171 | 4-Bromopyridine--hydrogen bromide (1/1) | AKOS015833541 | 4-Brompyridinhydrobromid | Pyridine, 4-bromo-, hydrobromide | 4-Bromopyridine Hydrobromide | 4-bromo-Pyridine hydrobromide (1:1) | 4-bromopyridine;hydrobro

Specifications & Purity

≥98%

Storage

Store at 2-8°C, Argon charged

Shipped In

Wet ice

This product requires cold chain shipping. Ground and other economy services are not available.

Purity

≥98%

Names and Identifiers

• Pubchem Sid: 508809618
• Canonical Smiles: C1=CN=CC=C1Br.Br
• IUPAC Name: 4-bromopyridine;hydrobromide
• InChIKey: SMSVBXDZZQOTGB-UHFFFAOYSA-N
• INCHI: 1S/C5H4BrN.BrH/c6-5-1-3-7-4-2-5;/h1-4H;1H
• Isomeric SMILES: C1=CN=CC=C1Br.Br
• PubChem CID: 44630127
• Molecular Weight: 238.91
• Reaxy-Rn: 8559284

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Pyridines and derivatives
      • Subclass Pyridinium derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Pyridines and derivatives
• Subclass: Pyridinium derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Pyridinium derivatives
• Alternative Parents: Aryl bromides Heteroaromatic compounds Azacyclic compounds Organonitrogen compounds Organobromides Organic bromide salts Hydrocarbon derivatives Organic cations
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Pyridinium - Aryl halide - Aryl bromide - Heteroaromatic compound - Azacycle - Organic nitrogen compound - Hydrocarbon derivative - Organic bromide salt - Organic salt - Organonitrogen compound - Organobromide - Organohalogen compound - Organic cation - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as pyridinium derivatives. These are compounds containing a pyridinium ring, which is the cationic form of pyridine.
• 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

Chemical and Physical Properties

• Sensitivity: Hygroscopic,Heat Sensitive
• Molecular Weight: 238.910 g/mol
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 238.877 Da
• Monoisotopic Mass: 236.879 Da
• Topological Polar Surface Area: 12.900 Ų
• Heavy Atom Count: 8
• Formal Charge: 0
• Complexity: 50.000
• 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: 2

XLogP3