5-Bromo-2-chloro-3-nitropyridine
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5-Bromo-2-chloro-3-nitropyridine
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CAS No:
67443-38-3
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Formula:
C5H2BrClN2O2
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Chemical Name:
5-Bromo-2-chloro-3-nitropyridine
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Synonyms:
RARECHEM AL BO 2390;2-Chloro-3-nitro-5-bromopyridine;2-CHLORO-5-BROMO-3-NITROPYRIDINE;5-BROMO-2-CHLORO-3-NITROPYRIDINE 98%;5-Bromo-2-chloro-3-nitropyridine,98%;5-Bromo-2-chloro-3-nitrop...;5-BroMo-2-chloro-3-nitropyridine, 98% 1GR;5-BroMo-2-chloro-3-nitropyridine, 98% 5GR
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CAS No:
Characteristics
58.7
2.3
Yellow Crystalline Powder
1.9±0.1 g/cm3
64-69 °C
285.4°C at 760 mmHg
126.4±25.9 °C
1.627
Refrigerator
Safety Information
6.1
2811
3
36/37/38-21/22-41-37/38-25-22
37/39-26-45-36
Xn,Xi,T
Harmful
P261-P280-P301 + P310-P305 + P351 + P338
H301-H315-H318-H335
|Danger|H301 (89.13%): Toxic if swallowed [Danger Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P310, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 46 companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Bromo-2-chloro-3-nitropyridine Use and Manufacturing
5-Bromo-2-chloro-3-nitropyridineA mixture of 5-bromo-3-nitropyridin-2(1 H)-one (Step A, 7.2 g, 32.9 mmol), phosphoryl chloride(72 mL) and λ/, λ/-dimethylformamide (7.2 mL) was stirred under reflux for 2 h. After removal of solvent, the residue was dissolved in water (100 mL) and ethyl acetate(30 mL) and the solution was separated.The organic layer was washed with saturated sodium hydrogen carbonate, dried over sodium sulfate and concentrated to afford the title compound (6.97 g, 89percent) as a pale yellow solid.To a solution of 5-bromo-3-nitropyridin-2(1H)-one (4.62 g, 21.10 mmol) in POClN, N'-dimethylformamide (3 mL) was added to a mixture of 5-bromo-2-hydroxy-3-nitropyridine (16.54 g, 80 mmol) and thionyl chloride (43 mL) and the mixture was stirred and heated to reflux. N, N'-dimethylformamide (3 mL) was added to a mixture of 5-bromo-2-hydroxy-3-nitropyridine (16.54 g, 80 mmol) and thionyl chloride (43 mL) and the mixture was stirred and heated to reflux. After 1 hour, the solution was cooled and the solvent was evaporated. The mixture was co-evaporated with toluene to give a dark solid. Purification by flash chromatography (10:1 hexanes/ethyl acetate) gave the title compound (14.63 g, 82percent) as a yellow solid. A mixture of 5-bromo-2-hydroxy-3-nitropyridine (14) (28.8 g, 131.5 mmol), POClGeneral procedure: 2-Hydroxy-3-nitropyridine 5 (0.015 mol) was suspended in POCl
Computed Properties
Molecular Weight:237.44
XLogP3:2.3
Hydrogen Bond Acceptor Count:3
Exact Mass:235.89882
Monoisotopic Mass:235.89882
Topological Polar Surface Area:58.7
Heavy Atom Count:11
Complexity:163
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Bromo-2-chloro-3-nitropyridine
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