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CAS 190367-57-8

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Methyl 4-chloro-2-methyl-3-nitrobenzoate

Description:
Methyl 4-chloro-2-methyl-3-nitrobenzoate, with the CAS number 190367-57-8, is an organic compound that belongs to the class of benzoate esters. It features a benzoate structure where a methyl group, a chloro group, and a nitro group are substituted on the aromatic ring. This compound is characterized by its moderate polarity due to the presence of both electron-withdrawing (nitro and chloro) and electron-donating (methyl) groups, which can influence its reactivity and solubility in various solvents. Methyl 4-chloro-2-methyl-3-nitrobenzoate is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its physical properties, such as melting point and boiling point, can vary based on purity and specific conditions. Safety data indicates that, like many nitro compounds, it should be handled with care due to potential toxicity and environmental impact. Proper storage and handling procedures are essential to mitigate risks associated with exposure.
Formula:C9H8ClNO4
InChI:InChI=1S/C9H8ClNO4/c1-5-6(9(12)15-2)3-4-7(10)8(5)11(13)14/h3-4H,1-2H3
InChI key:InChIKey=OBEIQHRWPFVXDA-UHFFFAOYSA-N
SMILES:N(=O)(=O)C1=C(C)C(C(OC)=O)=CC=C1Cl
Synonyms:
  • Benzoic acid, 4-chloro-2-methyl-3-nitro-, methyl ester
  • Methyl 4-chloro-2-methyl-3-nitrobenzoate
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