CAS 60331-16-0

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

Description:

4-Chloro-2,6-dimethyl-5-nitropyrimidine is a heterocyclic organic compound characterized by its pyrimidine ring, which is a six-membered aromatic ring containing two nitrogen atoms at positions 1 and 3. This compound features a chlorine atom at the 4-position, two methyl groups at the 2 and 6 positions, and a nitro group at the 5-position, contributing to its unique chemical properties. It is typically a solid at room temperature and may exhibit moderate solubility in organic solvents. The presence of the nitro group suggests potential reactivity, particularly in electrophilic substitution reactions. This compound may be of interest in pharmaceutical chemistry and agrochemical applications due to its structural features, which can influence biological activity. Safety data should be consulted, as halogenated and nitro compounds can pose health and environmental risks. Overall, 4-Chloro-2,6-dimethyl-5-nitropyrimidine serves as a valuable building block in synthetic organic chemistry.

Formula: C₆H₆ClN₃O₂

InChI: InChI=1S/C6H6ClN3O2/c1-3-5(10(11)12)6(7)9-4(2)8-3/h1-2H3

InChI key: InChIKey=BDIHKEUEMAZUAU-UHFFFAOYSA-N

SMILES: N(=O)(=O)C=1C(C)=NC(C)=NC1Cl

Synonyms:

• Pyrimidine, 4-chloro-2,6-dimethyl-5-nitro-
• 4-Chloro-5-nitro-2,6-dimethylpyrimidine
• 4-Chloro-2,6-dimethyl-5-nitropyrimidine