| Identification | More | [Name]
2-Bromo-4-nitropyridine | [CAS]
6945-67-1 | [Synonyms]
2-BROMO-4-NITROPYRIDINE | [Molecular Formula]
C5H3BrN2O2 | [MDL Number]
MFCD03701383 | [Molecular Weight]
202.99 | [MOL File]
6945-67-1.mol |
| Chemical Properties | Back Directory | [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) |
| Hazard Information | Back Directory | [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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