1-(5-Fluoro-2-iodophenyl)ethanone
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1-(5-Fluoro-2-iodophenyl)ethanone
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CAS No:
914225-70-0
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Formula:
C8H6FIO
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Chemical Name:
1-(5-Fluoro-2-iodophenyl)ethanone
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Synonyms:
Ethanone,1-(5-fluoro-2-iodophenyl)-;1-(5-Fluoro-2-iodophenyl)ethanone;1-(5-Fluoro-2-iodophenyl)ethan-1-one
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CAS No:
Characteristics
17.1
2.4
1.8±0.1 g/cm3
269.5°C at 760 mmHg
116.8±23.2 °C
1.583
Slightly soluble in water.
Safety Information
|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-(5-Fluoro-2-iodophenyl)ethanone Use and Manufacturing
The 5-fluoro-2-iodo-benzoic acid by adding 13.87mol/L thionyl chloride in a solvent, heating to 60 °C, stirring sleepovers Go fully clarified, TLC (PE/EA:10/1) monitoring after the reaction, to evaporate the solvent, adding toluene to dryness, ethyl acetate to dissolve the spare. 3658 g of diethyl malonate was added to 55 L of ethyl acetate, and 4762 g of magnesium chloride was added thereto at room temperature for 30 minutes. 4877 g of triethylamine was added dropwise, and the mixture was stirred for 30 minutes and cooled to 5 ° C. (5L X 2) was added under ice-cooling, and the organic phase was washed with saturated brine (10 L X), and the mixture was stirred at room temperature for 2 hours. TLC (PE / EA: 10/1) 2) Wash, separate and evaporate the organic layer to give a red oil. Add 12L of a mixture of acetic acid: water: concentrated sulfuric acid volume ratio of 6.6: 4.4: 1, heated to 100 ° C, stirred overnight (30LX 1), saturated brine (10 L X 2), dried and evaporated to dryness to give a red color. The organic phase was washed with 0.5N sodium hydroxide solution (30 LX 1) and saturated brine (10 L X 2) The product was obtained by passing the superfine silica gel column (PE / EA: 8/1)3.6Kg 1- (5-fluoro-2-iodophenyl)ethanone having the structural formula shown in Formula 3:
Computed Properties
Molecular Weight:264.03
XLogP3:2.4
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:263.94474
Monoisotopic Mass:263.94474
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-(5-Fluoro-2-iodophenyl)ethanone
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