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CAS 1272756-03-2

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Methyl 4-bromo-2,6-dinitrobenzoate

Description:
Methyl 4-bromo-2,6-dinitrobenzoate is an organic compound characterized by its aromatic structure, which includes a benzoate moiety substituted with both bromine and nitro groups. The presence of the bromine atom at the para position and two nitro groups at the ortho positions on the benzene ring significantly influences its chemical reactivity and physical properties. This compound is typically a yellow to orange solid, indicating its potential for colorimetric applications. It is likely to be soluble in organic solvents due to its non-polar aromatic structure, while its polar nitro groups may impart some degree of solubility in polar solvents. Methyl 4-bromo-2,6-dinitrobenzoate may exhibit biological activity, making it of interest in pharmaceutical research. Additionally, the presence of multiple electronegative substituents can enhance its electrophilic character, making it a useful intermediate in various synthetic pathways, particularly in the synthesis of more complex organic molecules. Safety precautions should be taken when handling this compound, as it may pose health risks associated with its bromine and nitro functionalities.
Formula:C8H5BrN2O6
InChI:InChI=1S/C8H5BrN2O6/c1-17-8(12)7-5(10(13)14)2-4(9)3-6(7)11(15)16/h2-3H,1H3
InChI key:InChIKey=XFHBMIBQDDEXIX-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(N(=O)=O)C=C(Br)C=C1N(=O)=O
Synonyms:
  • Methyl 4-bromo-2,6-dinitrobenzoate
  • Benzoic acid, 4-bromo-2,6-dinitro-, methyl ester
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