CAS 477709-63-0

2(1H)-Pyrimidinone, 5-bromo-, hydrochloride, hydrobromide (1:1:1)

Description:

2(1H)-Pyrimidinone, 5-bromo-, hydrochloride, hydrobromide (1:1:1) is a chemical compound characterized by its pyrimidinone structure, which features a six-membered aromatic ring containing nitrogen atoms. The presence of a bromine atom at the 5-position enhances its reactivity and potential applications in medicinal chemistry. As a hydrochloride and hydrobromide salt, it exhibits increased solubility in water, making it suitable for various biological and chemical applications. This compound is typically used in research settings, particularly in the synthesis of pharmaceuticals or as an intermediate in organic synthesis. Its molecular structure contributes to its properties, including potential biological activity, which may involve interactions with specific biological targets. Safety and handling precautions should be observed due to the presence of bromine and the potential for toxicity. As with many chemical substances, proper characterization through techniques such as NMR, IR spectroscopy, and mass spectrometry is essential for confirming its identity and purity in laboratory settings.

Formula: C₄H₃BrN₂O·BrH·ClH

InChI: InChI=1S/C4H3BrN2O.BrH.ClH/c5-3-1-6-4(8)7-2-3;;/h1-2H,(H,6,7,8);2*1H

InChI key: InChIKey=MCTRFASDKMXSFP-UHFFFAOYSA-N

SMILES: BrC1=CNC(=O)N=C1.Br.Cl

Synonyms:

• 2(1H)-Pyrimidinone, 5-bromo-, monohydrobromide monohydrochloride
• 2(1H)-Pyrimidinone, 5-bromo-, hydrochloride, hydrobromide (1:1:1)