Description

1-(4,6-Dichloro-5-pyrimidinyl)ethanone (CAS No. 60025-06-1) is a high-purity chlorinated pyrimidine derivative with the molecular formula C₆H₄Cl₂N₂O. This compound, also known as 4,6-dichloro-5-acetylpyrimidine, is a versatile building block in organic synthesis and pharmaceutical research. Its dichloro-substituted pyrimidine core and acetyl functional group make it a valuable intermediate for the development of agrochemicals, pharmaceuticals, and specialty chemicals. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied as a white to off-white crystalline powder with excellent batch-to-batch consistency. Suitable for nucleophilic substitution reactions, cross-coupling reactions, and heterocyclic chemistry applications. Packaged under inert atmosphere to ensure stability and shipped with comprehensive analytical data (GC/MS, NMR, HPLC).

Properties

• CAS Number: 60025-06-1
• Complexity: 155
• IUPAC Name: 1-(4,6-dichloropyrimidin-5-yl)ethanone
• InChI: InChI=1S/C6H4Cl2N2O/c1-3(11)4-5(7)9-2-10-6(4)8/h2H,1H3
• InChI Key: AMOPGZSOKQKCHT-UHFFFAOYSA-N
• Exact Mass: 189.9700681
• Molecular Formula: C6H4Cl2N2O
• Molecular Weight: 191.01
• SMILES: CC(=O)C1=C(N=CN=C1Cl)Cl
• Topological: 42.9
• Monoisotopic Mass: 189.9700681
• Synonyms: 60025-06-1, 1-(4,6-dichloro-5-pyrimidinyl)ethanone, 848-964-9, 1-(4,6-DICHLOROPYRIMIDIN-5-YL)ETHANONE, 4,6-dichloro-5-acetylpyrimidine, 1-(4,6-dichloropyrimidin-5-yl)ethan-1-one, Ethanone, 1-(4,6-dichloro-5-pyrimidinyl)-, MFCD13689148, 5-Acetyl-4,6-dichloropyrimidine, SCHEMBL312212, AMOPGZSOKQKCHT-UHFFFAOYSA-N, AKOS022185532, DS-5054, SB57582, DA-41992, SY045830, 1-(4,6-dichloro-pyrimidin-5-yl)-ethanone, CS-0042569, EN300-1272842, Z1255444091

Application

1-(4,6-Dichloro-5-pyrimidinyl)ethanone serves as a key synthetic intermediate for pharmaceutical compounds, particularly in the development of kinase inhibitors and antiviral agents. The compound’s reactive chlorine atoms enable efficient functionalization at the 4- and 6-positions of the pyrimidine ring. Researchers utilize this building block in medicinal chemistry for structure-activity relationship (SAR) studies due to its ability to undergo selective nucleophilic aromatic substitution. It has shown utility in the synthesis of potential herbicides and fungicides in agrochemical research.

Safety and Hazards

GHS Hazard Statements

• H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
• H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]
• H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

Precautionary Statements

• P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501

Hazard Classes and Categories

• Skin Irrit. 2 (100%)
• Eye Irrit. 2A (100%)
• STOT SE 3 (100%)

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