1-(3-Bromo-4-fluorophenyl)ethanone
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1-(3-Bromo-4-fluorophenyl)ethanone
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CAS No:
1007-15-4
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Formula:
C8H6BrFO
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Chemical Name:
1-(3-Bromo-4-fluorophenyl)ethanone
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Synonyms:
Ethanone,1-(3-bromo-4-fluorophenyl)-;Acetophenone,3′-bromo-4′-fluoro-;1-(3-Bromo-4-fluorophenyl)ethanone;3-Bromo-4-fluoroacetophenone;1-(3-Bromo-4-fluorophenyl)ethan-1-one;3′-Bromo-4′-fluoroacetophenone;1-Acetyl-3-bromo-4-fluorobenzene;4′-Fluoro-3′-bromoacetophenone;1-(4-Fluoro-3-bromophenyl)-ethanone
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CAS No:
Characteristics
17.1
2.4
White crystals solid.
1.5728 (rough estimate)
57 °C @ Solvent: Hexane
230 °C
>230 °F
1.5450 (estimate)
Store in a tightly closed container. Store in a cool, dry, well-ventilated area away from incompatible substances.
Safety Information
IRRITANT
NONH for all modes of transport
3
R36/37/38
26-37/39
Xi
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 135 companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
1-(3-Bromo-4-fluorophenyl)ethanone Use and Manufacturing
5(3, 5-dibromo-4-fluorophenyl)-ethanone and (3-bromo-4-fluorophenyl)-ethanone69 g (0.5 mol) of p-fluoroacetophenone were added dropwise to 200.0 g (1.5 mol) of finely powdered aluminium chloride with stirring, during which time the mixture heated up to 70° C. It was kept at 75-80° C. for another 20 minutes and then 184 g (1.15 mol) of bromine were added at this temperature within 2.5 hours. Finally, the resulting mixture was heated to 90° C. for another 3 hours. After being cooled and decolorised the mixture was divided between water and tert.butylmethyl ether. Working up the organic phase yielded 130 g of a brownish-black oil which was separated into 2 fractions on silica gel using toluene as eluant: a) 41.2 g (28percent of theoretical) of colourless crystals, m.p. 59-62° C. and R
Computed Properties
Molecular Weight:217.03
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:215.95861
Monoisotopic Mass:215.95861
Topological Polar Surface Area:17.1
Heavy Atom Count:11
Complexity:160
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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1-(3-Bromo-4-fluorophenyl)ethanone
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