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CAS 42087-80-9

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Benzoic acid, 4-chloro-2-nitro-, methyl ester

Description:
Benzoic acid, 4-chloro-2-nitro-, methyl ester, with the CAS number 42087-80-9, is an organic compound characterized by its aromatic structure, which includes a benzoic acid moiety modified by both a chloro and a nitro group. This compound typically appears as a solid at room temperature and is known for its moderate solubility in organic solvents, while being less soluble in water due to its hydrophobic aromatic ring. The presence of the chloro and nitro substituents introduces unique reactivity, making it useful in various chemical syntheses and applications, particularly in the field of pharmaceuticals and agrochemicals. The nitro group can participate in electrophilic aromatic substitution reactions, while the ester functionality can undergo hydrolysis or transesterification. Safety data indicates that, like many nitro compounds, it should be handled with care due to potential toxicity and environmental concerns. Overall, this compound serves as an important intermediate in organic synthesis and research.
Formula:C8H6ClNO4
InChI:InChI=1S/C8H6ClNO4/c1-14-8(11)6-3-2-5(9)4-7(6)10(12)13/h2-4H,1H3
InChI key:InChIKey=JWOSXVMUUBWGOL-UHFFFAOYSA-N
SMILES:C(OC)(=O)C1=C(N(=O)=O)C=C(Cl)C=C1
Synonyms:
  • 2-Nitro-4-chlorobenzoic acid methyl ester
  • 4-Chloro-2-nitrobenzoic acid methyl ester
  • Benzoic acid, 4-chloro-2-nitro-, methyl ester
  • Methyl 2-nitro-4-chlorobenzoate
  • NSC 17028
  • Methyl 4-chloro-2-nitrobenzoate
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