2-Bromo-4-nitropyridine Chemical Properties

Melting point:

64℃

Boiling point:

286.1±20.0 °C(Predicted)

Density 

1.833±0.06 g/cm3(Predicted)

storage temp. 

under inert gas (nitrogen or Argon) at 2-8°C

form 

powder to crystal

pka

-3.12±0.10(Predicted)

color 

Light yellow to Yellow to Green

BRN 

120826

InChI

InChI=1S/C5H3BrN2O2/c6-5-3-4(8(9)10)1-2-7-5/h1-3H

InChIKey

AFVITJKRFRRQKT-UHFFFAOYSA-N

SMILES

C1(Br)=NC=CC([N+]([O-])=O)=C1

CAS DataBase Reference

6945-67-1(CAS DataBase Reference)

Safety Information

Hazard Codes 

Xi

Risk Statements 

36/37/38

Safety Statements 

26-36

WGK Germany 

3

HS Code 

29333990

2-Bromo-4-nitropyridine Usage And Synthesis

Chemical Properties

Light yellow solid

Synthesis

[Step B] 2-Bromo-4-nitropyridine-N-oxide (17 g, 78 mmol) was dissolved in chloroform (200 mL) and phosphorus tribromide (7.4 mL) was added. The reaction mixture was heated to reflux for 1 hour or monitored by thin layer chromatography until the reaction was complete. After the reaction was complete, it was cooled to room temperature and concentrated under reduced pressure to remove most of the solvent. The residue was slowly poured into ice water and a yellow solid precipitated. The solid product was collected by filtration to afford 2-bromo-4-nitropyridine (14.5 g, 92% yield).

References

[1] Patent: WO2004/18463, 2004, A2. Location in patent: Page 42

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