CAS 19645-77-3

5-Chloro-2,4,6(1H,3H,5H)-pyrimidinetrione

Description:

5-Chloro-2,4,6(1H,3H,5H)-pyrimidinetrione, also known as chloropyrimidine, is a heterocyclic organic compound characterized by a pyrimidine ring with a chlorine substituent and three carbonyl groups. This compound typically exhibits a white to off-white crystalline appearance and is soluble in polar solvents such as water and alcohols. Its molecular structure features a six-membered ring containing nitrogen atoms, which contributes to its reactivity and potential applications in pharmaceuticals and agrochemicals. The presence of the chlorine atom enhances its electrophilic properties, making it useful in various chemical reactions, including nucleophilic substitutions. Additionally, the compound may exhibit biological activity, which can be explored for potential therapeutic uses. Safety data indicates that, like many chlorinated compounds, it should be handled with care due to potential toxicity and environmental concerns. Overall, 5-Chloro-2,4,6(1H,3H,5H)-pyrimidinetrione is a significant compound in organic synthesis and medicinal chemistry.

Formula: C₄H₃ClN₂O₃

InChI: InChI=1S/C4H3ClN2O3/c5-1-2(8)6-4(10)7-3(1)9/h1H,(H2,6,7,8,9,10)

InChI key: InChIKey=XDDWKERRJNWQIL-UHFFFAOYSA-N

SMILES: ClC1C(=O)NC(=O)NC1=O

Synonyms:

• 2,4,6(1H,3H,5H)-Pyrimidinetrione, 5-chloro-
• 5-Chloro-2,4,6(1H,3H,5H)-pyrimidinetrione
• 5-Chloro-2,4,6-trihydroxypyrimidine
• 5-chloropyrimidine-2,4,6(1H,3H,5H)-trione
• Ai3-26567
• Barbituric acid, 5-chloro-
• 5-Chlorobarbituric acid
• 5-Chlorobarbituric acid

5-chloro-Barbituric acid

Controlled Product

CAS: 19645-77-3

Formula: C₄H₃ClN₂O₃

Color and Shape: Neat

Molecular weight: 162.531

Ref: TR-C423810