CAS 1000342-31-3
:Methyl 6-chloro-4-nitro-1H-indazole-3-carboxylate
Description:
Methyl 6-chloro-4-nitro-1H-indazole-3-carboxylate is a chemical compound characterized by its indazole core, which is a five-membered aromatic ring containing two nitrogen atoms. This compound features a chloro group and a nitro group, which are both electron-withdrawing substituents, influencing its reactivity and properties. The presence of the carboxylate group indicates that it can participate in various chemical reactions, such as esterification or nucleophilic substitution. Methyl 6-chloro-4-nitro-1H-indazole-3-carboxylate is typically used in organic synthesis and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its molecular structure suggests potential applications in medicinal chemistry, particularly due to the presence of the nitro group, which can be reduced to amines, leading to derivatives with varied biological activities. Safety data should be consulted for handling and storage, as compounds with nitro and chloro groups can pose health risks.
Formula:C9H6ClN3O4
InChI:InChI=1S/C9H6ClN3O4/c1-17-9(14)8-7-5(11-12-8)2-4(10)3-6(7)13(15)16/h2-3H,1H3,(H,11,12)
InChI key:InChIKey=DVGFNAXOGLXOLG-UHFFFAOYSA-N
SMILES:C(OC)(=O)C=1C2=C(N(=O)=O)C=C(Cl)C=C2NN1
Synonyms:- 1H-Indazole-3-carboxylic acid, 6-chloro-4-nitro-, methyl ester
- Methyl 6-chloro-4-nitro-1H-indazole-3-carboxylate
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