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CAS 1080650-03-8

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2-Chloro-4,6-dimethyl-5-nitropyrimidine

Description:
2-Chloro-4,6-dimethyl-5-nitropyrimidine is a heterocyclic organic compound characterized by a pyrimidine ring substituted with a chlorine atom, two methyl groups, and a nitro group. The presence of the chlorine atom at the 2-position and the nitro group at the 5-position contributes to its reactivity and potential applications in various chemical syntheses. The methyl groups at the 4 and 6 positions enhance the compound's lipophilicity and may influence its biological activity. This compound is typically used in the synthesis of pharmaceuticals and agrochemicals due to its ability to participate in nucleophilic substitution reactions. Its molecular structure allows for various functionalization possibilities, making it a valuable intermediate in organic synthesis. Additionally, the nitro group can serve as a site for reduction reactions, further expanding its utility in chemical transformations. Safety data should be consulted, as compounds with halogen and nitro substituents can exhibit toxicity and environmental concerns.
Formula:C6H6ClN3O2
InChI:InChI=1S/C6H6ClN3O2/c1-3-5(10(11)12)4(2)9-6(7)8-3/h1-2H3
InChI key:InChIKey=MRUDNQYMHIHIEA-UHFFFAOYSA-N
SMILES:N(=O)(=O)C=1C(C)=NC(Cl)=NC1C
Synonyms:
  • Pyrimidine, 2-chloro-4,6-dimethyl-5-nitro-
  • 2-Chloro-4,6-dimethyl-5-nitropyrimidine
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