1-(3-Fluoro-4-methoxyphenyl)ethanone
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1-(3-Fluoro-4-methoxyphenyl)ethanone
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CAS No:
455-91-4
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Formula:
C9H9FO2
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Chemical Name:
1-(3-Fluoro-4-methoxyphenyl)ethanone
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Synonyms:
Ethanone,1-(3-fluoro-4-methoxyphenyl)-;Acetophenone,3′-fluoro-4′-methoxy-;1-(3-Fluoro-4-methoxyphenyl)ethanone;3′-Fluoro-4′-methoxyacetophenone;NSC 89731;1-(3-Fluoro-4-methoxyphenyl)ethan-1-one
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CAS No:
1-(3-Fluoro-4-methoxyphenyl)ethanone Basic Attributes
168.17
168.16
207-253-8
89731
DTXSID30196541
2914700090
Safety Information
NONH for all modes of transport
3
R36/37/38
S26-S37/39-S36
Xi: Irritant;
P261-P305 + P351 + P338
H315-H319-H335
1-(3-Fluoro-4-methoxyphenyl)ethanone Use and Manufacturing
Under ice bath conditions, 6.38 g (48 mmol) of aluminum trichloride and 40 mlDichloromethane is put into a 100ml round bottom flask, stirred and dissolved4.68 g (60 mmol) of acetyl chloride, maintaining the temperature at 5 to 10° C., stirring at 5° C. for 10 minutes, followed by dropwise addition of 2-fluoroanisole 5.04 g(40 mmol). The mixture is stirred at 5°C for 1 hour and then poured into 100 ml of ice-water. The aqueous layer is extracted with dichloromethane (2 x 30 ml). The combined organic phases are washed with water (2 x 30 ml), dried over anhydrous magnesium sulphate, filtered, and petroleum ether is used. The product was recrystallized from ethyl acetate in 92.4percent yield.Step 1: D2. 1 -( 3 -Fluoro-4-methoxy-ρhenvD-ethanoneTo a slurry of AICI
Computed Properties
Molecular Weight:168.16
XLogP3:1.7
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:168.05865769
Monoisotopic Mass:168.05865769
Topological Polar Surface Area:26.3
Heavy Atom Count:12
Complexity:170
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-(3-Fluoro-4-methoxyphenyl)ethanone
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