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CAS 70227-50-8

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4-Chloro-2-(1,1-dimethylethyl)-5-nitropyrimidine

Description:
4-Chloro-2-(1,1-dimethylethyl)-5-nitropyrimidine is a heterocyclic organic compound characterized by a pyrimidine ring substituted with a chlorine atom, a nitro group, and a tert-butyl group. The presence of the chlorine atom at the 4-position and the nitro group at the 5-position contributes to its reactivity and potential applications in various chemical reactions. The tert-butyl group at the 2-position enhances the compound's lipophilicity, which can influence its solubility and biological activity. This compound is typically used in the synthesis of pharmaceuticals and agrochemicals, owing to its ability to act as an intermediate in the production of more complex molecules. Its molecular structure allows for various functionalization reactions, making it a valuable building block in organic synthesis. Additionally, safety and handling precautions should be observed due to the presence of the nitro group, which can pose hazards in terms of stability and reactivity.
Formula:C8H10ClN3O2
InChI:InChI=1S/C8H10ClN3O2/c1-8(2,3)7-10-4-5(12(13)14)6(9)11-7/h4H,1-3H3
InChI key:InChIKey=WRWLLLIIGUUHCE-UHFFFAOYSA-N
SMILES:C(C)(C)(C)C=1N=C(Cl)C(N(=O)=O)=CN1
Synonyms:
  • 2-tert-Butyl-4-chloro-5-nitropyrimidine
  • 4-Chloro-2-(1,1-dimethylethyl)-5-nitropyrimidine
  • Pyrimidine, 4-chloro-2-(1,1-dimethylethyl)-5-nitro-
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