4-Bromo-6-fluoroquinoline
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4-Bromo-6-fluoroquinoline
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CAS No:
661463-17-8
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Formula:
C9H5BrFN
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Chemical Name:
4-Bromo-6-fluoroquinoline
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Synonyms:
4-Bromo-6-fluoroquinoline;4-Bromo-6-fluoro-quinoline;SCHEMBL632884;Quinoline, 4-bromo-6-fluoro-;CTK5C3571;DTXSID70591859;BCP25748;MFCD09261094;ZINC26507948;AKOS002681325
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CAS No:
Safety Information
NONH for all modes of transport
3
22-41
26-39
Xn
P280-P305 + P351 + P338
H302-H318
4-Bromo-6-fluoroquinoline Use and Manufacturing
To a solution of intermediate A.i (20 g, 122.58 mmol) in DMF (130 niL), heated to 60To a solution of (10b) (11.3 g, 69.3 mmol) in DMF (350 ml) was added dropwisephosphorous tribromide (7.1 ml, 76.3 mmol) over five minutes (slightly exothermic). The reaction was allowed to cool to room temperature and was then diluted with ice water and stirred 1 hour then diluted with additional water. The product was filtered off, washed with water and dried in vacuo to afford the product as a white solid (12.0 g, 76percent). MS (+ve ion electrospray) m/z 226 (MH+).To a solution of intermediate A.i (20 g, 122.58 mmol) in DMF (130 niL), heated to 60To a solution of (10b) (11.3 g, 69.3 mmol) in DMF (350 ml) was added dropwisephosphorous tribromide (7.1 ml, 76.3 mmol) over five minutes (slightly exothermic). The reaction was allowed to cool to room temperature and was then diluted with ice water and stirred 1 hour then diluted with additional water. The product was filtered off, washed with water and dried in vacuo to afford the product as a white solid (12.0 g, 76percent). MS (+ve ion electrospray) m/z 226 (MH+).
Computed Properties
Molecular Weight:226.04
XLogP3:3
Hydrogen Bond Acceptor Count:2
Exact Mass:224.95894
Monoisotopic Mass:224.95894
Topological Polar Surface Area:12.9
Heavy Atom Count:12
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
