4-(trifluoromethoxy)phenacyl bromide
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4-(trifluoromethoxy)phenacyl bromide
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CAS No:
103962-10-3
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Formula:
C9H6BrF3O2
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Chemical Name:
4-(trifluoromethoxy)phenacyl bromide
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Synonyms:
4-(Trifluoromethoxy)phenacyl bromide;2-Bromo-1-(4-(trifluoromethoxy)phenyl)ethanone;2-Bromo-4"-(trifluoromethoxy)acetophenone;2-Bromo-1-[4-(Trifluoromethoxy)Phenyl]Ethan-1-One;2-bromo-1-[4-(trifluoromethoxy)phenyl]ethanone;2-Bromo-4"-trifluoromethoxyacetophenone;2-Bromo-1-(4-trifluoromethoxy-phenyl)-ethanone;p-(trifluoromethoxy)phenacyl bromide;Ethanone, 2-bromo-1-[4-(trifluoromethoxy)phenyl]-;MFCD00052333
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CAS No:
Safety Information
1759
R34
S26-S36/37/39
C: Corrosive;Xi: Irritant;
P280-P305 + P351 + P338
H317-H319
|Warning|H317 (95%): May cause an allergic skin reaction [Warning Sensitization, Skin]|P261, P264, P272, P280, P302+P352, P305+P351+P338, P321, P333+P313, P337+P313, P363, and P501|Aggregated GHS information provided by 40 companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
4-(trifluoromethoxy)phenacyl bromide Use and Manufacturing
To a preheated (80C) stirred solution of copper(II) bromide (17.2 g, 77.2 mmol) in EtOAc (20 mL) was added 4'-(trifluoromethoxy)acetophenone (HG, 8.7 g, 42.89 mmol) in chloroform (10 mL) and the reaction mixture was stirred at 80C for 4 h. The progress of the reaction was monitored by TLC. After completion of the reaction, the reaction mixture was filtered through celite. The filtrate was concentrated under reduced pressure to yield crude compound which was purified by silica gel column chromatography using 2-2.5percent DCM/hexane to afford compound HH (7 g, 58.0percent) as an off white solid. 1H NMR (400 MHz, CDC13): _ 8.05 (d, = 8.0 Hz, 2H), 7.32 (d, = 8.8 Hz, 2H), 4.41 (s, 2H).
Computed Properties
Molecular Weight:283.04
XLogP3:3.6
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:3
Exact Mass:281.95033
Monoisotopic Mass:281.95033
Topological Polar Surface Area:26.3
Heavy Atom Count:15
Complexity:222
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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4-(trifluoromethoxy)phenacyl bromide
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