4-CHLORO-7-FLUOROQUINOLINE
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4-CHLORO-7-FLUOROQUINOLINE
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CAS No:
391-82-2
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Formula:
C9H5ClFN
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Chemical Name:
4-CHLORO-7-FLUOROQUINOLINE
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Synonyms:
4-Chloro-7-fluoroquinoline;Quinoline, 4-chloro-7-fluoro-;4-Chloro-7-fluoro-quinoline;7-fluoro-4-chloroquinoline;SCHEMBL856135;Quinoline,4-chloro-7-fluoro-;CTK4I1046;DTXSID40569121;5111AB;ANW-63757
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CAS No:
Safety Information
26-39
Xn
|Warning|H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
4-CHLORO-7-FLUOROQUINOLINE Use and Manufacturing
An oven dried round bottom flask was charged with 7-fluoroquinolin-4- ol (1.1 g, 6.7 mmol). Neat phosphorous oxy chloride (15 mL) was added and the contents were heated at 70°C for 3 h. After concentrating under reduced pressure, the reaction mixture was carefully poured in ice cold water (30 mL) and neutralized with an aqueous solution of sodium bicarbonate. The aqueous layer was extracted with dichloromethane (5 x 20 mL) and the combined organic layer was washed with brine, dried over anhydrous sodium sulphate, filtered and concentrated under reduced pressure. The crude mixture was purified by column chromatography on silica (10 percent - 40 percent of ethyl acetate in w-hexanes) to yield 4-chloro-7-fluoroquinoline (1.2 g, 98 percent) as white solid.R/ 0.7 (40 percent of ethyl acetate in w-hexanes, UV active).Thermo-MS (ESI) m/z (M+ H) Cald for C
Computed Properties
Molecular Weight:181.59
XLogP3:3
Hydrogen Bond Acceptor Count:2
Exact Mass:181.0094550
Monoisotopic Mass:181.0094550
Topological Polar Surface Area:12.9
Heavy Atom Count:12
Complexity:165
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
