4-Bromo-3-iodobenzotrifluoride
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4-Bromo-3-iodobenzotrifluoride
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CAS No:
640280-28-0
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Formula:
C7H3BrF3I
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Chemical Name:
4-Bromo-3-iodobenzotrifluoride
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Synonyms:
4-BroMo-2-iodo-4-(trifluoroMethyl)benzene;1-Iodo-2-bromo-5-(trifluoromethyl)benzene;5-broMo-1-iodo-5-(trifluoroMethyl)cyclohexa-1,3-diene;4-Bromo-3-iodo-alpha,alpha,alpha-trifluorotoluene, 1-Bromo-2-iodo-4-(trifluoromethyl)benzene;Benzene, 1-bromo-2-iodo-4-(trifluoromethyl)-;4-bromo-3-iodo-trifluoromethylbenzene;4-Bromo-3-Iodobenzotrifluorid;4-Bromo-3-iodobenzotrifluoride
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CAS No:
4-Bromo-3-iodobenzotrifluoride Use and Manufacturing
4-Bromobenzotrifluoride (35 ml, 0.25 mol) was dissolved in 100 ml of triflic acid at room temperature. N-iodosuccinimide (59 g, 0.26 mol) was added portionwise over 5 minutes and the dark mixture was stirred for an additional 15 hours at room temperature. The reaction mixture was put onto ice (300 g) and after the ice had melted, the aqueous phase was extracted with 3 portions (100 ml) of diethyl ether. The organic phases were combined, washed with saturated sodium carbonate, water and brine and dried over magnesium sulfate. After filtration and evaporation of the solvent, the remaining liquid was distilled under vacuum (0.25 mbar) to yield 4-bromo-3-iodobenzotrifluoride (85 g, 85 percent) as a clear liquid, boiling point: 62-64 0C.
Computed Properties
Molecular Weight:350.90
XLogP3:4.1
Hydrogen Bond Acceptor Count:3
Exact Mass:349.84149
Monoisotopic Mass:349.84149
Heavy Atom Count:12
Complexity:159
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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