5-Bromo-2-chloro-3-pyridinecarbonitrile
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5-Bromo-2-chloro-3-pyridinecarbonitrile
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CAS No:
405224-23-9
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Formula:
C6H2BrClN2
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Chemical Name:
5-Bromo-2-chloro-3-pyridinecarbonitrile
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Synonyms:
3-Pyridinecarbonitrile,5-bromo-2-chloro-;5-Bromo-2-chloro-3-pyridinecarbonitrile;5-Bromo-2-chloronicotinonitrile;5-Bromo-2-chloropyridine-3-carbonitrile;1779403-34-7
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CAS No:
Characteristics
36.7
2.2
Solid
1.9±0.1 g/cm3
138.0 to 142.0 °C
272.7°C at 760 mmHg
118.7±25.9 °C
1.629
Slightly soluble in water.
Safety Information
III
6.1
UN 2811 6.1 / PGIII
3
25-37/38-41
26-39
Xi,T
P261-P280-P301 + P310-P305 + P351 + P338
H301-H315-H318-H335
|Danger|H301 (95.24%): 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, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 42 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-Bromo-2-chloro-3-pyridinecarbonitrile Use and Manufacturing
To a stirred solution of compound 2 (4.6 g) in HC1 (48.4 mL ) was added sodium nitrite ( 5.3 mL ) dropwise at-5 °C. The reaction mixture was stirred at room temperature for 2h. The resulting solids were collected by filtration and dried in vacuum to give compound 3 (4.4 g, 88percent).Step-2 [0069] To a stirred solution of compound 2 (4.6 g) in HCl (48.4 mL) was added sodium nitrite (5.3 mL) dropwise at −5° C. The reaction mixture was stirred at room temperature for 2 h. The resulting solids were collected by filtration and dried in vacuum to give compound 3 (4.4 g, 88percent).5-bromo-2-chloropyridine-3-carbonitrile (3) ; [00141] Compound 2 was dissolved in cone. HCl at O5-Bromo-2-chloronicotinonitrile (13) Compound 12 (69 mg, 0.35 mmol) and PClPOCl
Computed Properties
Molecular Weight:217.45
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Exact Mass:215.90899
Monoisotopic Mass:215.90899
Topological Polar Surface Area:36.7
Heavy Atom Count:10
Complexity:164
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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5-Bromo-2-chloro-3-pyridinecarbonitrile
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