4-(4-Bromophenyl)pyridine
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4-(4-Bromophenyl)pyridine
structure -
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CAS No:
39795-60-3
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Formula:
C11H8BrN
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Chemical Name:
4-(4-Bromophenyl)pyridine
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Synonyms:
Pyridine,4-(4-bromophenyl)-;4-(4-Bromophenyl)pyridine;4-(p-Bromophenyl)pyridine;4-(4-Pyridyl)bromobenzene;4-(4′-Bromophenyl)pyridine
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CAS No:
Safety Information
3
36-43
26-36/37
Xi
P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, P362
H315
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P264, P280, P302+P352, P305+P351+P338, P321, P332+P313, P337+P313, and P362|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
4-(4-Bromophenyl)pyridine Use and Manufacturing
The compound of formula 2 used as starting material was prepared as follows. A solution of 4-bromobenzeneboronic acid (2 g) in absolute ethanol (10 ml) was added slowly to a stirred mixture of 4-bromopyridine hydrochloride (1.96 g) in toluene (10 ml), 2M aqueous sodium carbonate solution (25 ml) and tetrakistriphenylphosphine palladium [0] (345 mg) under an atmosphere of argon. The mixture was heated to reflux and stirred at reflux for 3 hours. The mixture was cooled to ambient temperature and water (50 ml) was added. The resulting mixture was extracted with ethyl acetate (3*20 ml). The ethyl acetate extracts were combined and extracted with 2N aqueous hydrochloric acid. The acidic extract was cooled and basified by the addition of aqueous sodium hydroxide solution to give a pH of 9. The mixture was then extracted with ethyl acetate (5*50 ml). The ethyl acetate extracts were combined, dried (MgSO4) and evaporated to give 4-(pyrid-4-yl)bromobenzene as a solid (0.71 g), m.p. 123°-124° C.; microanalysis, found: C, 56.4; H, 3.4; N, 5.9percent; C11 H8 BrN requires: C, 56.4; H, 3.4; N, 6.0percent; m/z 234(M+H).
Computed Properties
Molecular Weight:234.09
XLogP3:3.3
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:1
Exact Mass:232.98401
Monoisotopic Mass:232.98401
Topological Polar Surface Area:12.9
Heavy Atom Count:13
Complexity:146
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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