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CAS 42590-00-1

:

methyl 4-hydroxy-3-methoxy-5-nitrobenzoate

Description:
Methyl 4-hydroxy-3-methoxy-5-nitrobenzoate, with the CAS number 42590-00-1, is an organic compound that belongs to the class of benzoates. It features a benzoic acid derivative structure, characterized by the presence of a methoxy group (-OCH3), a hydroxyl group (-OH), and a nitro group (-NO2) on the aromatic ring. This compound is typically a yellow to orange crystalline solid, exhibiting moderate solubility in organic solvents such as ethanol and acetone, while being less soluble in water. The presence of the nitro group contributes to its potential as a synthetic intermediate in organic chemistry, particularly in the synthesis of pharmaceuticals and agrochemicals. Additionally, the hydroxyl and methoxy groups can influence its reactivity and polarity, making it a useful compound in various chemical reactions, including nucleophilic substitutions and electrophilic aromatic substitutions. Safety data should be consulted for handling, as nitro compounds can be sensitive and may pose health risks.
Formula:C9H9NO6
InChI:InChI=1/C9H9NO6/c1-15-7-4-5(9(12)16-2)3-6(8(7)11)10(13)14/h3-4,11H,1-2H3
SMILES:COc1cc(cc(c1O)N(=O)=O)C(=O)OC
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