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CAS No. : | 1427460-96-5 | MDL No. : | MFCD22421936 |
Formula : | C9H7BrN2O2 | Boiling Point : | 395.9±22.0°C at 760 mmHg |
Linear Structure Formula : | - | InChI Key : | - |
M.W : | 255.07 | Pubchem ID : | 75365448 |
Synonyms : |
|
TPSA :Topological Polar Surface Area | 55 | H-Bond Acceptor Count : | 3 |
XLogP3 : | - | H-Bond Donor Count : | 1 |
SP3 : | 0.11 | Rotatable Bond Count : | 2 |
Signal Word: | Warning | Class: | N/A |
Precautionary Statements: | P280-P305+P351+P338 | UN#: | N/A |
Hazard Statements: | H302 | Packing Group: | N/A |
GHS Pictogram: |
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Yield | Reaction Conditions | Operation in experiment |
---|---|---|
25% | With acetic acid; sodium nitrite In water at 20℃; for 5 h; | To a mixture of compound 2 (2.2 g, 9.1 mmol) in HOAc (40 ml) was added a solution of NaNO2 (6.27 g, 9.1 mmol) in H2O (9 ml) dropwise. The mixture was stirred at ambient temperature for five h. and then concentrated in vacuo. The resulting solid was triturated with ethyl acetate (40 ml) and filtered. The filtrate was concentrated to afford compound 3 (575 mg, 25percent) |
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