4-Bromopyridine - ≥97% , CAS No.1120-87-2

CAS: 1120-87-2 Cat. No.: B302216 Molecular Weight: 158.00

GRADE & PURITY ≥97%

Synonyms

AB05093 | FT-0602716 | DTXSID1061520 | SY002728 | BBL009972 | EINECS 214-320-5 | Pyridine, 4-bromo- | Q229935 | 4-BROMOPYRIDINE | 4-Bromo-Pyridine | 4-Bromopyridine # | SB75320 | InChI=1/C5H4BrN/c6-5-1-3-7-4-2-5/h1-4 | 4-bromo pyridine | AM81308 | 4-pyrid

Storage

Protected from light,Store at -20°C

Shipped In

Ice chest + Ice pads

Specifications

Synonyms

AB05093 | FT-0602716 | DTXSID1061520 | SY002728 | BBL009972 | EINECS 214-320-5 | Pyridine, 4-bromo- | Q229935 | 4-BROMOPYRIDINE | 4-Bromo-Pyridine | 4-Bromopyridine # | SB75320 | InChI=1/C5H4BrN/c6-5-1-3-7-4-2-5/h1-4 | 4-bromo pyridine | AM81308 | 4-pyrid

Specifications & Purity

≥97%

Storage

Protected from light, Store at -20°C

Shipped In

Ice chest + Ice pads

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

Purity

≥97%

Names and Identifiers

• Pubchem Sid: 488181960
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488181960
• Canonical Smiles: C1=CN=CC=C1Br
• IUPAC Name: 4-bromopyridine
• InChIKey: BSDGZUDFPKIYQG-UHFFFAOYSA-N
• INCHI: 1S/C5H4BrN/c6-5-1-3-7-4-2-5/h1-4H
• Isomeric SMILES: C1=CN=CC=C1Br
• Molecular Weight: 158.00
• Reaxy-Rn: 1563
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=1563&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

Mechanisms of Action

Chemical and Physical Properties

• Sensitivity: light sensitive
• Refractive Index: 1.5694 (estimate)
• Flash Point(°C): 224℃
• Boil Point(°C): 185.2±13.0 ℃ at 760 mmHg
• Melt Point(°C): 53-56 ℃(lit.)
• Molecular Weight: 158.000 g/mol
• XLogP3: 1.500
• 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: 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: 1