5-broMo-2-iodophenol
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5-broMo-2-iodophenol
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CAS No:
858855-11-5
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Formula:
C6H4BrIO
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Chemical Name:
5-broMo-2-iodophenol
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Synonyms:
5-Bromo-2-iodophenol;Phenol, 5-bromo-2-iodo-;5-?Bromo-?2-?iodophenol;SCHEMBL5311648;KS-00000PSD;DTXSID10740445;3383AC;MFCD16999931;ZINC83749451;AKOS016008932
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CAS No:
Safety Information
P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, P501
H302
|Warning|H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]|P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501|Aggregated GHS information provided by 19 companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
5-broMo-2-iodophenol Use and Manufacturing
To a solution of 1 (2.50 g, 13.30 mmol) in dry THF (12 mL) at -30 to -40 °C in a dry ice- MeCN bath was added boron trifluoride diethyl etherate (BFKI (3.32 g, 20 mmol) and KIO3 (1.86 g, 8.7 mmol) were added to a stirred suspension of 3-bromophenol (5.00 g, 28.9 mmol) in a mixed solvent of H2O (120 mL) and H2SO4 (3 mL), and the mixture was stirred at r.t. After 18 h, the reaction was quenched with Na2S2O4 aq. and filtrated with Celite. The solution was extracted with EtOAc, and the organic layer was washed with brine and NaHCO3 aq., dried over Na2SO4. The solvent was removed under reduced pressure, and the residue was purified by column chromatography on silica gel(hexane) and preparative SEC using CHCl3 as the eluent, to give 2 as a white solid (4.08 g, 47percent).To a stirred solution of
Computed Properties
Molecular Weight:298.90
XLogP3:2.9
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Exact Mass:297.84902
Monoisotopic Mass:297.84902
Topological Polar Surface Area:20.2
Heavy Atom Count:9
Complexity:99.1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes