Cas no 933686-09-0 (4,6-Dichloro-2-methyl-5-pyrimidinecarboxylic acid)

4,6-Dichloro-2-methyl-5-pyrimidinecarboxylic acid is a versatile pyrimidine derivative widely used as a key intermediate in organic synthesis and pharmaceutical manufacturing. Its dichloro and methyl substituents enhance reactivity, making it valuable for nucleophilic substitution reactions and further functionalization. The carboxylic acid group provides an additional site for derivatization, enabling the synthesis of more complex heterocyclic compounds. This compound exhibits high purity and stability, ensuring consistent performance in research and industrial applications. Its structural features make it particularly useful in the development of agrochemicals, pharmaceuticals, and specialty chemicals, where precise molecular modifications are required. Proper handling and storage are recommended to maintain its integrity.
4,6-Dichloro-2-methyl-5-pyrimidinecarboxylic acid structure
933686-09-0 structure
Product Name:4,6-Dichloro-2-methyl-5-pyrimidinecarboxylic acid
CAS No:933686-09-0
MF:C6H4Cl2N2O2
MW:207.014159202576
CID:2179641
Update Time:2025-05-20

4,6-Dichloro-2-methyl-5-pyrimidinecarboxylic acid Chemical and Physical Properties

Names and Identifiers

    • 4,6-Dichloro-2-methylpyrimidine-5-carboxylic acid
    • 5-Pyrimidinecarboxylic acid, 4,6-dichloro-2-methyl-
    • CID 58265017
    • 4,6-Dichloro-2-methyl-5-pyrimidinecarboxylic acid
    • Inchi: 1S/C6H4Cl2N2O2/c1-2-9-4(7)3(6(11)12)5(8)10-2/h1H3,(H,11,12)
    • InChI Key: SVNMTZASTXZWCQ-UHFFFAOYSA-N
    • SMILES: ClC1=C(C(=O)O)C(=NC(C)=N1)Cl

Computed Properties

  • Hydrogen Bond Donor Count: 1
  • Hydrogen Bond Acceptor Count: 4
  • Heavy Atom Count: 12
  • Rotatable Bond Count: 1
  • Complexity: 178
  • Topological Polar Surface Area: 63.1

Experimental Properties

  • Density: 1.609±0.06 g/cm3(Predicted)
  • Boiling Point: 335.9±37.0 °C(Predicted)
  • pka: 0.20±0.32(Predicted)

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