Description

2-(2,5-Dichlorophenyl)-5-methyl-4H-pyrazol-3-one (CAS No. 13102-34-6) is a high-purity heterocyclic organic compound with the molecular formula C₁₀H₈Cl₂N₂O. This chlorinated pyrazolone derivative is a valuable building block for pharmaceutical and agrochemical research, offering a unique structural motif for the synthesis of bioactive molecules. Our product is rigorously tested to ensure ≥98% purity (HPLC) and is supplied as a fine crystalline powder with batch-specific certificates of analysis. Suitable for use in medicinal chemistry, this compound exhibits potential as an intermediate in the development of antimicrobial or anti-inflammatory agents due to its dichlorophenyl and pyrazolone pharmacophores. Proper storage at 2-8°C under inert atmosphere is recommended for long-term stability.

Properties

• CAS Number: 13102-34-6
• Complexity: 306
• IUPAC Name: 2-(2,5-dichlorophenyl)-5-methyl-4H-pyrazol-3-one
• InChI: InChI=1S/C10H8Cl2N2O/c1-6-4-10(15)14(13-6)9-5-7(11)2-3-8(9)12/h2-3,5H,4H2,1H3
• InChI Key: FCWUFSJRTXLBTH-UHFFFAOYSA-N
• Exact Mass: 242.0013683
• Molecular Formula: C10H8Cl2N2O
• Molecular Weight: 243.09
• SMILES: CC1=NN(C(=O)C1)C2=C(C=CC(=C2)Cl)Cl
• Topological: 32.7
• Monoisotopic Mass: 242.0013683
• Synonyms: 13102-34-6, 3H-Pyrazol-3-one, 2-(2,5-dichlorophenyl)-2,4-dihydro-5-methyl-, SJE2M8DC7H, EINECS 236-022-4, DTXSID5065352, 2-(2,5-Dichlorophenyl)-2,4-dihydro-5-methyl-3H-pyrazol-3-one, DTXCID9034020, 236-022-4, 2-(2,5-Dichlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one, 2-(2,5-dichlorophenyl)-5-methyl-4H-pyrazol-3-one, 1-(2′,5′-Dichlorophenyl)-3-methyl-5-pyrazolone, F1414-0568, MFCD00043807, UNII-SJE2M8DC7H, Cambridge id 5255950, CBDivE_007820, SCHEMBL9770328, 1-(2,5-dichlorophenyl)-3-methyl-1H-pyrazol-5(4H)-one, SMSSF-0040861, ALBB-013695, STK396343, AKOS000289042, LS-04302, CS-0329052, NS00024140, N12397, SR-01000530480, SR-01000530480-1, 1-(2,5-dichlorophenyl)-3-methyl-2-pyrazolin-5-one, Pyrazol-5(4H)-one, 1-(2,5-dichlorophenyl)-3-methyl-, 2-(2,5-Dichlorophenyl)-5-methyl-2,4-dihydro-3H-pyrazol-3-one #

Application

This compound serves as a key intermediate in the synthesis of potential pharmaceutical agents, particularly in the development of antimicrobial and anti-inflammatory drugs. Researchers utilize it in heterocyclic chemistry studies to explore structure-activity relationships in medicinal compounds. The dichlorophenyl moiety makes it valuable for investigating halogen bonding interactions in drug design.

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