| Identification | More | [Name]
5-Bromo-3-nitropyridine-2-carbonitrile | [CAS]
573675-25-9 | [Synonyms]
573675-25-92-PYRIDINECARBONITRILE, 5-BROMO-3-NITRO-
5-BROMO-2-CYANO-3-NITROPYRIDINE
5-BROMO-3-NITRO-2-CYANOPYRIDINE
5-BROMO-3-NITROPYRIDINE-2-CARBONITRILE
5-Bromo-3-nitro-2-cynopyridine
2-Cyano-5-bromo-3-nitropyridine | [EINECS(EC#)]
629-442-8 | [Molecular Formula]
C6H2BrN3O2 | [MDL Number]
MFCD06657551 | [Molecular Weight]
228 | [MOL File]
573675-25-9.mol |
| Chemical Properties | Back Directory | [Appearance]
Yellow to light yellow crystals | [Melting point ]
101-106 °C | [Boiling point ]
348.9±42.0 °C(Predicted) | [density ]
1.92±0.1 g/cm3(Predicted) | [storage temp. ]
Inert atmosphere,Room Temperature | [form ]
powder to crystal | [pka]
-6.71±0.20(Predicted) | [color ]
Light orange to Yellow to Green | [InChI]
InChI=1S/C6H2BrN3O2/c7-4-1-6(10(11)12)5(2-8)9-3-4/h1,3H | [InChIKey]
OBVYONPVHIOJJZ-UHFFFAOYSA-N | [SMILES]
C1(C#N)=NC=C(Br)C=C1[N+]([O-])=O | [CAS DataBase Reference]
573675-25-9(CAS DataBase Reference) |
| Safety Data | Back Directory | [Symbol(GHS) ]
 
GHS05,GHS06 | [Signal word ]
Danger | [Hazard statements ]
H301-H312+H332-H315-H318-H335 | [Precautionary statements ]
P261-P280-P301+P310-P302+P352+P312-P304+P340+P312-P305+P351+P338 | [Hazard Codes ]
T,Xi | [Risk Statements ]
R20/21:Harmful by inhalation and in contact with skin .
R25:Toxic if swallowed.
R37/38:Irritating to respiratory system and skin .
R41:Risk of serious damage to eyes. | [Safety Statements ]
S26:In case of contact with eyes, rinse immediately with plenty of water and seek medical advice .
S36/37/39:Wear suitable protective clothing, gloves and eye/face protection .
S45:In case of accident or if you feel unwell, seek medical advice immediately (show label where possible) . | [RIDADR ]
UN 2811 6.1/PG 3 | [WGK Germany ]
3 | [Hazard Note ]
Toxic | [HazardClass ]
IRRITANT | [PackingGroup ]
Ⅲ | [HS Code ]
29333990 |
| Hazard Information | Back Directory | [Chemical Properties]
Yellow to light yellow crystals | [Uses]
Used as an intermediate in organic synthesis. | [Synthesis]
To a stirred solution of 2,5-dibromo-3-nitro-pyridine (25 g, 88.68 mmol) in propionitrile (100 ml) was added CuCN (8.7 g, 97.55 mmol) and the mixture was heated to 90°C. for 17 h. Then it was allowed to cool to room temperature, diluted with EtOAc, washed twice with brine, dried with Na2SO4 and concentrated. The remaining residue was purified by chromatography (silica gel; DCM/MeOH 95:5- 85:15) to obtain 5-Bromo-3-nitropyridine-2-carbonitrile. Yellow solid, yield 17.5 g, 68%.
| [References]
[1] Patent: EP1757594, 2007, A1. Location in patent: Page/Page column 76
[2] Bioorganic and Medicinal Chemistry Letters, 2007, vol. 17, # 13, p. 3608 - 3612
[3] Patent: WO2005/42498, 2005, A2. Location in patent: Page/Page column 43; 44
[4] Patent: WO2006/52514, 2006, A1. Location in patent: Page/Page column 7-8
[5] Patent: WO2006/132837, 2006, A1. Location in patent: Page/Page column 19 |
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