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CAS No. : | 95383-26-9 | MDL No. : | MFCD15527529 |
Formula : | C8H6BrFO3 | Boiling Point : | 317.9±42.0°C at 760 mmHg |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 249.03 | Pubchem ID : | 18468178 |
Synonyms : |
|
TPSA :Topological Polar Surface Area | 46.5 | H-Bond Acceptor Count : | 4 |
XLogP3 : | 2.2 | H-Bond Donor Count : | 1 |
SP3 : | 0.13 | Rotatable Bond Count : | 2 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P261-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H315-H319-H335 | Packing Group: | N/A |
GHS Pictogram: |
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Yield | Reaction Conditions | Operation in experiment |
---|---|---|
96% | at 10 - 35℃; for 2 h; | ( Step 1 )To a solution of 4-fluoro-2-methoxybenzoic acid (1.70 g) in acetic acid (20 mL) was added bromine (0.56 mL) at room temperature, and the mixture was stirred for 2 hr. Water was added to the reaction mixture, and the precipitate was collected by filtration with water and hexane to give 5-bromo-4-fluoro-2-methoxybenzoic acid (2.38 g, 96percent) as a white powder.1H-NMR (300MHz, CDCl3): δ 4.07 (3H, s) , 6.86 (IH, d, J=9.6Hz), 8.39 (IH, d, J=7.8Hz) |
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