4-bromo-1-iodo-2-nitrobenzene
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4-bromo-1-iodo-2-nitrobenzene
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CAS No:
112671-42-8
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Formula:
C6H3BrINO2
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Chemical Name:
4-bromo-1-iodo-2-nitrobenzene
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Synonyms:
4-bromo-1-iodo-2-nitrobenzene;2-nitro-4-broMo-iodobenzene;Benzene, 4-broMo-1-iodo-2-nitro-;4-broMo-2-nitroiodobenzene
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CAS No:
4-bromo-1-iodo-2-nitrobenzene Use and Manufacturing
To BF3·OEt2 (16.0 mL, 126.3 mmol) at –30 °C was added a solution of 4-bromo-2-nitroaniline (6.50g, 30.0 mmol) in THF (100 mL) dropwise over 20 min. The mixture was stirred at –30 °C for 10 min andthen a solution of tBuONO (13.0 mL, 90percent, 109.3 mmol) in THF (81 mL) was added dropwise over 15min. The reaction mixture was allowed to warm to –10 °C at which time Et2O (158 mL) was addeddropwise. The mixture was allowed to stir at –5 °C for 1 h until a white pale solid precipitated. The solidwas filtered and washed with Et2O to afford a white solid which was then added in one portion to a 500mL round-bottomed flask containing, KI (5.45 g, 26.53 mmol), iodine (7.16 g, 13.27 mmol), and MeCN(120 mL). The mixture was stirred at RT for 1.3 h, quenched with sat. aq Na2S2O3 (250 mL), and22extracted with CH2Cl2 (2 x 150 mL). The organic layers were combined, dried over Na2SO4, andconcentrated in vacuo to afford 4-bromo-1-iodo-2-nitrobenzene (8.61 g, 88percent yield) as a yellow solid.(5) Take (100mmol) M4, 32.6g (100mmol) of (3) Add (100mmol) M2 to the reaction flask32.6g (100mmol) of (1) Take (100mmol) 4- (9, 9-dimethylphosphonium) boronic acid, 32.6g (100mmol) of (1) Take (100mmol) N-phenylcarbazole-1-boronic acid, 32.6g (100mmol) of (1) Take 21.2 g (100 mmol) of 4-dibenzofuran boronic acid, 32.6g (100mmol) of
Computed Properties
Molecular Weight:327.90
XLogP3:3.1
Hydrogen Bond Acceptor Count:2
Exact Mass:326.83919
Monoisotopic Mass:326.83919
Topological Polar Surface Area:45.8
Heavy Atom Count:11
Complexity:161
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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