| Identification | More | [Name]
2-Chloro-3-bromo-5-nitropyridine | [CAS]
5470-17-7 | [Synonyms]
2-CHLORO-3-BROMO-5-NITROPYRIDINE
3-BROMO-2-CHLORO-5-NITROPYRIDINE
3-Bromo-2-chloro-5-nitropyridine 98% | [Molecular Formula]
C5H2BrClN2O2 | [MDL Number]
MFCD00233989 | [Molecular Weight]
237.44 | [MOL File]
5470-17-7.mol |
| Chemical Properties | Back Directory | [Melting point ]
54-58 | [Boiling point ]
293.8±35.0 °C(Predicted) | [density ]
1.936±0.06 g/cm3(Predicted) | [storage temp. ]
Keep in dark place,Sealed in dry,Room Temperature | [form ]
powder to crystal | [pka]
-4.99±0.10(Predicted) | [color ]
Light yellow to Brown to Dark green | [InChI]
InChI=1S/C5H2BrClN2O2/c6-4-1-3(9(10)11)2-8-5(4)7/h1-2H | [InChIKey]
PTTQIUHVDDBART-UHFFFAOYSA-N | [SMILES]
C1(Cl)=NC=C([N+]([O-])=O)C=C1Br | [CAS DataBase Reference]
5470-17-7(CAS DataBase Reference) |
| Safety Data | Back Directory | [Hazard Codes ]
Xi | [Risk Statements ]
25-41 | [Safety Statements ]
26-39-45 | [RIDADR ]
2811 | [WGK Germany ]
1 | [Hazard Note ]
Irritant | [HazardClass ]
IRRITANT | [PackingGroup ]
Ⅲ | [HS Code ]
2933399990 | [Storage Class]
6.1C - Combustible acute toxic Cat.3
toxic compounds or compounds which causing chronic effects | [Hazard Classifications]
Acute Tox. 3 Oral
Eye Dam. 1 |
| Hazard Information | Back Directory | [Uses]
3-Bromo-2-chloro-5-nitropyridine is a raw material for the preparation of other organic substances and can be used as a reagent or intermediate component in organic synthesis. | [Synthesis]
3-Bromo-2-chloro-5-nitropyridine is synthesised using 3-Bromo-2-hydroxy-5-nitropyridine as raw material by chemical reaction. The specific synthesis steps are as follows:
Second step POCI3 (3 ml) was added at 0°C to the mixture of 3-Bromo-2-hydroxy-5-nitropyridine (7.25 g, 33 mmol) and quinoline (2 ml, 16.5 mmol). This reaction medium was heated at 12000 for 2.5 hours and then, after cooling to room temperature, 20 ml of water were added. The precipitate formed was collected by filtration and dried to give the expected 3-Bromo-2-chloro-5-nitropyridine in the form of a brown solid, in a yield of 95percent (7.5 g).The NMR analyses (1H 400 MHz DMSO-d6) are in accordance with the expected structure.
 | [References]
[1] Patent: WO2015/92011, 2015, A1. Location in patent: Page/Page column 31; 32
[2] Synthesis, 1990, # 6, p. 499 - 501
[3] Patent: US2006/79522, 2006, A1. Location in patent: Page/Page column 8; 13
[4] Patent: US2006/79523, 2006, A1. Location in patent: Page/Page column 9; 13
[5] Patent: US2006/79524, 2006, A1. Location in patent: Page/Page column 9; 13 |
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