1-(2-Fluorophenyl)-2-propanone
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1-(2-Fluorophenyl)-2-propanone
structure -
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CAS No:
2836-82-0
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Formula:
C9H9FO
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Chemical Name:
1-(2-Fluorophenyl)-2-propanone
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Synonyms:
2-Propanone,1-(2-fluorophenyl)-;2-Propanone,1-(o-fluorophenyl)-;2-Propanone,(o-fluorophenyl)-;1-(2-Fluorophenyl)-2-propanone;1-(o-Fluorophenyl)-2-propanone;3-(2-Fluorophenyl)-2-propanone;1-(2-Fluorophenyl)propan-2-one;1-(2-Fluorophenyl)acetone;(o-Fluorophenyl)acetone;2-Fluorophenylacetone
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CAS No:
Characteristics
17.1
1.8
clear light yellow liquid
1.1±0.1 g/cm3
47 °C @ Press: 0.05 Torr
85.0±0.0 °C
1.489
Keep away from heat, sparks, and flame. Keep away from sources of ignition. Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
0.00877mmHg at 25°C
Safety Information
3
R36/37/38
S24/25
F: Flammable;
Stable under normal temperatures and pressures.
P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, P501
H315
|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 2 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-(2-Fluorophenyl)-2-propanone Use and Manufacturing
A suspension of 1-fluoro-2-(2-nitroprop-1-en-1-yl)benzene (2054547) (160 g, 0.88 mol), iron powder (320g, 5.71 mol) and iron (Ill) chloride (3.2 g, 19.6 mmol) in water (640 ml)was heated to 80°C with overhead stirring and 37percent hydrochloric acid (320 ml) added over twenty minutes. The reaction was then heated to reflux for an hour and allowed to cool. Ethyl acetate (1 It) was added and the mixture filtered through a pad of celite; the layers were separated and the organic dried and concentrated. The oil obtained waspurified by reduced pressure distillation to give1-(2-fluorophenyl)propan-2-one (2054549) (90g (67percent), Rf = 0.40 (1:4 Ethyl acetate:heptanes), Bp = 70°C 1mm Hg).
2-Fluorophenylacetone is used in the synthesis of antimalarial drugs.
Computed Properties
Molecular Weight:152.16
XLogP3:1.8
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:152.063743068
Monoisotopic Mass:152.063743068
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:145
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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