CAS 125629-02-9
:Butyl 3,4-dihydroxy-5-nitrobenzoate
Description:
Butyl 3,4-dihydroxy-5-nitrobenzoate, identified by its CAS number 125629-02-9, is an organic compound that belongs to the class of benzoates. This substance features a butyl ester functional group, which contributes to its solubility and volatility characteristics. The presence of two hydroxyl groups (–OH) and a nitro group (–NO2) on the benzene ring indicates that it has potential applications in various chemical reactions and as a precursor in organic synthesis. The hydroxyl groups can participate in hydrogen bonding, enhancing its solubility in polar solvents, while the nitro group can influence its reactivity and stability. This compound may exhibit biological activity, making it of interest in pharmaceutical research. Its physical properties, such as melting point, boiling point, and density, would typically be determined through experimental methods. Safety data should be consulted to understand its handling and potential hazards, as with any chemical substance. Overall, Butyl 3,4-dihydroxy-5-nitrobenzoate is a versatile compound with potential applications in both industrial and research settings.
Formula:C11H13NO6
InChI:InChI=1S/C11H13NO6/c1-2-3-4-18-11(15)7-5-8(12(16)17)10(14)9(13)6-7/h5-6,13-14H,2-4H2,1H3
InChI key:InChIKey=CQCMPUPIHNURLC-UHFFFAOYSA-N
SMILES:C(OCCCC)(=O)C1=CC(N(=O)=O)=C(O)C(O)=C1
Synonyms:- Benzoic acid, 3,4-dihydroxy-5-nitro-, butyl ester
- Butyl 3,4-dihydroxy-5-nitrobenzoate
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