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CAS 58263-53-9

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2-Methylpropyl 4-chloro-3,5-dinitrobenzoate

Description:
2-Methylpropyl 4-chloro-3,5-dinitrobenzoate, with the CAS number 58263-53-9, is an organic compound characterized by its ester functional group, derived from benzoic acid. This compound features a 4-chloro substituent and two nitro groups at the 3 and 5 positions of the benzene ring, contributing to its chemical reactivity and potential applications in various fields. The presence of the 2-methylpropyl group enhances its hydrophobic characteristics, influencing its solubility in organic solvents. Typically, compounds of this nature exhibit moderate to high stability under standard conditions but may undergo hydrolysis in the presence of strong acids or bases. The nitro groups can impart significant electron-withdrawing properties, affecting the compound's reactivity in electrophilic aromatic substitution reactions. Additionally, due to the presence of chlorine and nitro groups, this compound may exhibit biological activity, making it of interest in medicinal chemistry and agrochemical applications. Safety data should be consulted for handling and storage, as halogenated and nitro compounds can pose environmental and health risks.
Formula:C11H11ClN2O6
InChI:InChI=1S/C11H11ClN2O6/c1-6(2)5-20-11(15)7-3-8(13(16)17)10(12)9(4-7)14(18)19/h3-4,6H,5H2,1-2H3
InChI key:InChIKey=MHWMKXCBVGGVSX-UHFFFAOYSA-N
SMILES:C(OCC(C)C)(=O)C1=CC(N(=O)=O)=C(Cl)C(N(=O)=O)=C1
Synonyms:
  • 4-Chloro-3,5-dinitrobenzoic acid isobutyl ester
  • Benzoic Acid, 4-Chloro-3,5-Dinitro-, 2-Methylpropyl Ester
  • Isobutyl 4-chloro-3,5-dinitrobenzoate
  • 2-Methylpropyl 4-chloro-3,5-dinitrobenzoate
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