138006-41-4

Basic information

• Product Name: 3-BROMO-2,5-DICHLOROPYRIDINE
• Synonyms: 2,5 DICHLORO-3-BROMO-PYRIDINE;3-BROMO-2,5-DICHLOROPYRIDINE;2-Chloro-3-Bromo-5-Chloropyridine;Pyridine,3-broMo-2,5-dichloro-
• CAS NO: 138006-41-4
• Molecular Formula: C₅H₂BrCl₂N
• Molecular Weight: 226.89
• Product Categories: Pyridine;Halides;Pyridines;Boronic Acid;Variety of halogenated heterocyclic series;Pyridine Series;Heterocycle-Pyridine series
• Mol File: 138006-41-4.mol
• Article Data: 4

Chemical Properties

• Melting Point: 38-40°C
• Boiling Point: 195-198C
• Flash Point: 98.3 °C
• Appearance: White or cream-colored powder
• Density: 1,199g/cm
• Vapor Pressure: 0.0634mmHg at 25°C
• Refractive Index: 1,424-1,426
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Solubility: soluble in Methanol
• PKA: -3.02±0.10(Predicted)
• CAS DataBase Reference: 3-BROMO-2,5-DICHLOROPYRIDINE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-BROMO-2,5-DICHLOROPYRIDINE(138006-41-4)
• EPA Substance Registry System: 3-BROMO-2,5-DICHLOROPYRIDINE(138006-41-4)

Safety Data

• Hazard Codes: Xi,T
• Statements: 36/37/38-41-37/38-25
• Safety Statements: 26-45-39
• RIDADR: UN2811
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 138006-41-4(Hazardous Substances Data)

Usage

General Description

3-Bromo-2,5-dichloropyridine is a chemical compound with the molecular formula C5H2BrCl2N. It is a yellow to light brown solid that is used as an intermediate in the synthesis of pharmaceuticals and agrochemicals. 3-BROMO-2,5-DICHLOROPYRIDINE is commonly used as a building block in the production of other chemicals, such as pesticides and herbicides. It has a molecular weight of 204.39 g/mol and is classified as a halogenated pyridine compound. 3-Bromo-2,5-dichloropyridine is known for its high reactivity and is handled with care due to its toxic and potentially harmful properties.

InChI:InChI=1/C5H2BrCl2N/c6-4-1-3(7)2-9-5(4)8/h1-2H

Upstream product

• 1221793-62-9 3-bromo-5-chloropyridine N-oxide 
• 26163-03-1 2-amino-3-bromo-5-chloropyridine 

Downstream Products

• 217090-24-9 N-tert-Butyl-4-(2,5-dichloro-pyridin-3-yl)-benzenesulfonamide 
• 202409-82-3 2-(benzyloxy)-3-bromo-5-chloropyridine 
• 202409-86-7 2,5-dichloro-3-[4-(methylsulfonyl)phenyl]pyridine 

Relevant articles and documents

Application of 1,1-ADEQUATE, HMBC, and Density Functional Theory to Determine Regioselectivity in the Halogenation of Pyridine N-Oxides

The 1,1-ADEQUATE spectrum clearly shows specific two-bond proton to carbon correlations to unequivocally distinguish the major and minor regioisomers of ortho-halogenated pyridines and to aid in assignment of the corresponding proton and carbon chemical shifts. M06-2X/6-31+G(d,p) free energies of the regioisomeric intermediates arising from deprotonation correctly predict the experimentally observed preference and thus can be used to tune the substituent pattern to yield a desired regiochemical outcome.

Highly Regioselective Halogenation of Pyridine N -Oxide: Practical Access to 2-Halo-Substituted Pyridines

A highly efficient and regioselective halogenation reaction of unsymmetrical pyridine N-oxide under mild conditions is described. The methodology provides a practical access to various 2-halo-substituted pyridines, which are pharmaceutically important intermediates.