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CAS No. : | 1097871-23-2 | MDL No. : | MFCD18379746 |
Formula : | C6H2ClF2I | Boiling Point : | 218.6±35.0°C at 760 mmHg |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 274.43 | Pubchem ID : | 51000088 |
Synonyms : |
|
TPSA :Topological Polar Surface Area | 0 | H-Bond Acceptor Count : | 2 |
XLogP3 : | 3.4 | H-Bond Donor Count : | 0 |
SP3 : | 0.00 | Rotatable Bond Count : | 0 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302-H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
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Yield | Reaction Conditions | Operation in experiment |
---|---|---|
74% | at 0 - 20℃; for 2.16667 h; | Trifluoromethanesulfonic acid (9.9 mL, 110 mmol) was added to 2-chloro-1,4-difluorobenzene (2.2 g, 15 mmol) at room temperature and then cooled to 0°C. N- Iodosuccinimide (3.16 g, 14.1 mmol) was then added in multiple portions. After 10 minutes, the reaction mixture was allowed to warm to room temperature and stirred for 2 hours. The reaction mixture was poured over ice-water and extracted with hexane. The organic layer was washed with saturated Na2SO4, dried and concentrated. The crude product was purified by silica gel chromatography (100percent hexanes) to give l-chloro-2,5-difluoro-4-iodobenzene (3.0 g, 74percent). 1H NMR (400 MHz, CDCl3) δ 7.52 (dd, J = 5.4, 7.8, IH), 7.17 - 7.08 (m, IH). |
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