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CAS 87600-72-4

:

5-Pyrimidinecarboxylic acid, 4,6-dichloro-, ethyl ester

Description:
5-Pyrimidinecarboxylic acid, 4,6-dichloro-, ethyl ester, with the CAS number 87600-72-4, is an organic compound characterized by its pyrimidine ring structure, which is a six-membered heterocyclic aromatic ring containing two nitrogen atoms at positions 1 and 3. The compound features a carboxylic acid functional group at the 5-position and ethyl ester functionality, indicating that it is an ester derivative of the corresponding carboxylic acid. The presence of dichloro substituents at the 4 and 6 positions enhances its reactivity and may influence its biological activity. This compound is typically used in various chemical syntheses and may serve as an intermediate in the production of pharmaceuticals or agrochemicals. Its physical properties, such as solubility and melting point, can vary based on the specific conditions and purity of the sample. As with many pyrimidine derivatives, it may exhibit interesting biological properties, making it a subject of research in medicinal chemistry. Proper handling and safety measures should be observed due to its chemical nature.
Formula:C7H6Cl2N2O2
InChI:InChI=1S/C7H6Cl2N2O2/c1-2-13-7(12)4-5(8)10-3-11-6(4)9/h3H,2H2,1H3
InChI key:InChIKey=JWBDDMCGDUJSTL-UHFFFAOYSA-N
SMILES:C(OCC)(=O)C=1C(Cl)=NC=NC1Cl
Synonyms:
  • Ethyl 4,6-dichloro-5-pyrimidinecarboxylate
  • Ethyl 4,6-dichloropyrimidine-5-carboxylate
  • 5-Pyrimidinecarboxylic acid, 4,6-dichloro-, ethyl ester
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