5-Bromo-3-nitropyridine-2-carbonitrile
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5-Bromo-3-nitropyridine-2-carbonitrile
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CAS No:
573675-25-9
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Formula:
C6H2BrN3O2
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Chemical Name:
5-Bromo-3-nitropyridine-2-carbonitrile
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Synonyms:
5-BROMO-2-CYANO-3-NITROPYRIDINE;5-BROMO-3-NITRO-2-CYANOPYRIDINE;5-BROMO-3-NITROPYRIDINE-2-CARBONITRILE;573675-25-92-PYRIDINECARBONITRILE, 5-BROMO-3-NITRO-;5-Bromo-3-nitro-2-cynopyridine;2-Cyano-5-bromo-3-nitropyridine;5-Bromo-2-cyano-3-nitropy...;5-Bromo-3-nitropicolinonitrile, 5-Bromo-2-cyano-3-nitropyridine
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CAS No:
Characteristics
82.5
1.4
Yellow to light yellow crystals
1.9±0.1 g/cm3
101-106°C
348.9°C at 760 mmHg
164.8±27.9 °C
1.646
Room temperature.
Safety Information
Ⅲ
IRRITANT
UN28116.1/PG3
3
20/21-25-37/38-41
26-36/37/39-45
T,Xi
Toxic
P261-P280-P301 + P310-P305 + P351 + P338
H301-H312-H315-H318-H332-H335
|Danger|H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P312, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P332+P313, P362, P363, P403+P233, P405, and P501|Aggregated GHS information provided by 41 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Bromo-3-nitropyridine-2-carbonitrile Use and Manufacturing
Step B: 5-Bromo-3-nitro-pyridine-2-carbonitrile 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 NaStep B: 5-Bromo-3-nitro-pyridine-2-carbonitrile OTo 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 Na(2) Production of 5-bromo-2-cyano-3-nitropyridine: 2, 5-Dibromo-3-nitropyridine (3.80 g, 13.4 mmol) and copper cyanide (2.42 g, 26.8 mmol) were mixed, and stirred under heat at 150°C for 2 hours. After cooled to room temperature, the contents were filtered, and the residue was washed with acetone. The mother liquid was concentrated, and the resulting residue was purified through silica gel column chromatography (hexane/ethyl acetate = 9/1 to 3/1) to obtain the intended compound (1.80 g, 59 percent) as a yellow solid.
Computed Properties
Molecular Weight:228.00
XLogP3:1.4
Hydrogen Bond Acceptor Count:4
Exact Mass:226.93304
Monoisotopic Mass:226.93304
Topological Polar Surface Area:82.5
Heavy Atom Count:12
Complexity:231
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Bromo-3-nitropyridine-2-carbonitrile
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