Description

4-Chloro-3-(difluoromethyl)-5-phenyl-1H-pyrazole (CAS No. 1029636-02-9) is a high-purity heterocyclic compound with the molecular formula C₁₀H₇ClF₂N₂. This specialized pyrazole derivative features a chloro group at the 4-position, a difluoromethyl group at the 3-position, and a phenyl ring at the 5-position, making it a valuable intermediate for pharmaceutical and agrochemical research. Its well-defined structure and reactivity enable precise modifications in synthetic chemistry applications. Suitable for researchers requiring rigorously tested compounds, this product is supplied with comprehensive analytical data including ¹H NMR, ¹³C NMR, and HPLC purity reports. Store in a cool, dry environment under inert conditions to ensure stability.

Properties

• CAS Number: 1029636-02-9
• Complexity: 210
• IUPAC Name: 4-chloro-5-(difluoromethyl)-3-phenyl-1H-pyrazole
• InChI: InChI=1S/C10H7ClF2N2/c11-7-8(6-4-2-1-3-5-6)14-15-9(7)10(12)13/h1-5,10H,(H,14,15)
• InChI Key: QLUXJNQEZRMMAF-UHFFFAOYSA-N
• Exact Mass: 228.0265822
• Molecular Formula: C10H7ClF2N2
• Molecular Weight: 228.62
• SMILES: C1=CC=C(C=C1)C2=NNC(=C2Cl)C(F)F
• Topological: 28.7
• Monoisotopic Mass: 228.0265822
• Synonyms: 4-chloro-3-(difluoromethyl)-5-phenyl-1H-pyrazole, 1029636-02-9, 4-chloro-5-(difluoromethyl)-3-phenyl-1H-pyrazole, 4-Chloro-3-difluoromethyl-5-phenylpyrazole, 4-Chloro-3(5)-difluoromethyl-5(3)-phenylpyrazole, MFCD04039250, SBB097345, AKOS025213462, 3-(difluoromethyl)-4-chloro-5-phenylpyrazole

Application

4-Chloro-3-(difluoromethyl)-5-phenyl-1H-pyrazole serves as a key building block in the synthesis of biologically active molecules, particularly in the development of fungicides and pharmaceuticals. Its difluoromethyl group enhances metabolic stability, making it valuable for drug discovery. Researchers also utilize this compound in the study of pyrazole-based inhibitors for enzymatic targets. Its structural features allow for further functionalization in medicinal chemistry applications.

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