1-(2-Bromo-5-fluorophenyl)ethanone
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1-(2-Bromo-5-fluorophenyl)ethanone
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CAS No:
1006-33-3
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Formula:
C8H6BrFO
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Chemical Name:
1-(2-Bromo-5-fluorophenyl)ethanone
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Synonyms:
Ethanone,1-(2-bromo-5-fluorophenyl)-;Acetophenone,2′-bromo-5′-fluoro-;1-(2-Bromo-5-fluorophenyl)ethanone;2′-Bromo-5′-fluoroacetophenone;1-(2-Bromo-5-fluorophenyl)ethan-1-one
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CAS No:
Characteristics
17.1
2.4
1.535±0.06 g/cm3(Predicted)
144 °C @ Press: 18 Torr
105.7±23.2 °C
1.5525
soluble in methanol.
0.021mmHg at 25°C
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P312, P322, P330, P363, P501
H302
|Warning|H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, 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-Bromo-5-fluorophenyl)ethanone Use and Manufacturing
1.2. Preparation ofl-(2-bromo-5-fluorophenyl)ethanone[0228] To a solution of l-(2-bromo-5-fluorophenyl)ethanol (53.4 g, 0.2438 moles) in dichloromethane (500 mL) at 0.233a 33bTo a solution of 2-bromo-5-fluoro-benzonitrile 33a (10 g, 50 mmol) in dry tetrahydrofuran (100 mL) under nitrogen was added methylmagnesium bromide (3.2 M in ether, 19 mL, 60.0 mmol), and the resulting mixture was heated to reflux for 4 hours. The RM was then cooled down to RT, poured into a 2 N HCl solution (100 mL) and then diluted with methanol (100 mL). The resulting green solution was concentrated on a steam bath for 1 h at which point the organic solvents had been removed and the crude product had precipitated. The reaction mixture was then extracted with ethyl acetate, dried over MgSO
2'-Bromo-5'-fluoroacetophenone is used in the synthesis of oxabicyclic compounds. It is also used in the enantioselective synthesis of chiral 3-aryl-1-indanone molecules.
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-(2-Bromo-5-fluorophenyl)ethanone
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