4-Fluoroisoquinoline
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4-Fluoroisoquinoline
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CAS No:
394-67-2
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Formula:
C9H6FN
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Chemical Name:
4-Fluoroisoquinoline
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Synonyms:
4-fluoroisoquinoline;isoquinoline, 4-fluoro-;4-Fluoro-isoquinoline;4-fluoranylisoquinoline;SCHEMBL998807;CTK1C1994;KS-00000DJU;DTXSID80348836;MFCD06656128;ZINC14989389
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CAS No:
Safety Information
|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-Fluoroisoquinoline Use and Manufacturing
To a solution of n-butyl lithium (133 mL, 332.5 mmol, 2.5 M in THF) in 760 mL THF was added a solution of 4-bromoisoquinoline 24a (20 g, 96.6 mmol) in 144 mL THF dropwise at -65° C. and the resulting mixture was stirred at this temperature for another 30 mm after the completion of addition. To a solution of n-butyl lithium (133 mL, 332.5 mmol, 2.5 M in THF) in 760 mL THF was added a solution of 4-bromoisoquinoline 24a (20 g, 96.6 mmol) in 144 mL THF dropwise at -65° C. and the resulting mixture was stirred at this temperature for another 30 mm after the completion of addition. Production of 4-fluoroisoquinoline-5-sulfonyl chloride hydrochloride from 4-fluoroisoquinoline To a 10-L-capacity reactor equipped with a stirrer, a thermometer, a condenser, and a dropper, 4-fluoroisoquinoline (750.0 g, 5.1 mol) which has been produced according to the method disclosed in the pamphlet of1-Chloro-1-chloro-
Computed Properties
Molecular Weight:147.15
XLogP3:2.2
Hydrogen Bond Acceptor Count:2
Exact Mass:147.048427358
Monoisotopic Mass:147.048427358
Topological Polar Surface Area:12.9
Heavy Atom Count:11
Complexity:138
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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