1-(3,4-Difluorophenyl)ethanone
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1-(3,4-Difluorophenyl)ethanone
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CAS No:
369-33-5
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Formula:
C8H6F2O
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Chemical Name:
1-(3,4-Difluorophenyl)ethanone
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Synonyms:
Ethanone,1-(3,4-difluorophenyl)-;Acetophenone,3′,4′-difluoro-;1-(3,4-Difluorophenyl)ethanone;3′,4′-Difluoroacetophenone;1-(3,4-Difluorophenyl)ethan-1-one
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CAS No:
Characteristics
17.1
2
clear yellowish liquid after melting
1.2±0.1 g/cm3
19.5-20 °C
200-201 °C @ Press: 734 Torr
75.0±0.0 °C
1.473
INSOLUBLE
Keep away from sources of ignition. Store in a cool, dry place. Store in a tightly closed container.
Safety Information
3
R36/37/38
S26-S36-S37/39
Xi:Irritant;
Stable under normal temperatures and pressures.
P261-P305 + P351 + P338
H315-H319-H335
|Warning|H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]|P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 47 companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-(3,4-Difluorophenyl)ethanone Use and Manufacturing
Anhydrous aluminum trichloride (117 g) was added to a mixed solution of 1, 2-difluorobenzene (50 g) and acetyl chloride (86 g) at room temperature, The resulting slurry was heated to 30 ° C and stirred.The reaction was stirred for 6 hours.The resulting red reaction was then cooled to 20 ° C, poured into 800 g of ice-water mixture and stirred for 30 minutes.The organic phase is separated. The aqueous phase was extracted with dichloromethane (3 × 500 ml).The combined organic phases were washed with water (2 x 500 ml), saturated sodium bicarbonate solution (2 x 500 ml), 15percent brine (2 x 500 ml) and dried over anhydrous sodium sulfate. The organic phase was concentrated to remove the solvent, then distilled under reduced pressure to collect the distillateMin (95oC / 13mmHg) to give the title compound (51g)General procedure: Referring to Scheme 1, to the appropriate acetophenone derivative (0.05 mol) and ethyltrifluoroacetate (0.075 mol) in methanol (20 mL), sodium methoxide solution (0.1 mol of Na + 15 mL ofCH3OH) was added dropwise at room temperature, and the mixture was refluxed for 2 h. After themethanol was evaporated under vacuum, the residue was dissolved in ethyl acetate (50 mL), washedwith 5% HCl (25 mL) and water (25 mL), and dried over sodium sulfate. After the solvent wasevaporated under vacuum, the corresponding compound II was obtained.
Computed Properties
Molecular Weight:156.13
XLogP3:2
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:1
Exact Mass:156.03867113
Monoisotopic Mass:156.03867113
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:158
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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