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CAS 1780-28-5

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4,5,6-trichloro-2-methylpyrimidine

Description:
4,5,6-Trichloro-2-methylpyrimidine is a heterocyclic organic compound characterized by a pyrimidine ring substituted with three chlorine atoms and a methyl group. Its molecular structure features a six-membered ring containing two nitrogen atoms at positions 1 and 3, which is typical of pyrimidines. The presence of chlorine atoms at the 4, 5, and 6 positions significantly influences its chemical reactivity and physical properties, making it a potent compound in various applications, particularly in the field of agrochemicals and pharmaceuticals. This compound is typically a colorless to pale yellow solid, with a relatively low solubility in water but good solubility in organic solvents. Its reactivity is enhanced due to the electronegative chlorine atoms, which can participate in nucleophilic substitution reactions. Additionally, 4,5,6-trichloro-2-methylpyrimidine is known for its potential use as an intermediate in the synthesis of other chemical compounds, including herbicides and fungicides. Proper handling and safety measures are essential due to its toxicological properties.
Formula:C5H3Cl3N2
InChI:InChI=1S/C5H3Cl3N2/c1-2-9-4(7)3(6)5(8)10-2/h1H3
InChI key:InChIKey=MLXZCYRURHJFLL-UHFFFAOYSA-N
SMILES:ClC=1C(Cl)=NC(C)=NC1Cl
Synonyms:
  • Pyrimidine, 4,5,6-trichloro-2-methyl-
  • NSC 26540
  • 4,5,6-Trichloro-2-methylpyrimidine
  • 2-Methyl-4,5,6-trichloropyrimidine
  • See more synonyms
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