5-Benzyl 3-methyl 1-(4-fluorophenyl)-4-isopropyl-pyrazole-3,5-dicarboxylate
[CAS# 887703-73-3]

Identification

• Name: 5-Benzyl 3-methyl 1-(4-fluorophenyl)-4-isopropyl-pyrazole-3,5-dicarboxylate
• Synonyms: 1-(4-Fluoro-phenyl)-4-isopropyl-1H-pyrazole-3,5-dicarboxylic acid 5-benzyl ester 3-methyl ester; 1H-Pyrazole-3,5-dicarboxylicacid,1-(4-fluorophenyl)-4-(1-methylethyl)-,3-methyl5-(phenylmethyl)ester; 5-Benzyl 3-methyl 1-(p-fluorophenyl)-4-isopropyl-1H-pyrazole-3,5-dicarboxylate
• Molecular Formula: C₂₂H₂₁FN₂O₄
• Molecular Weight: 396.41
• CAS Registry Number: 887703-73-3
• SMILES: CC(C)c1c(nn(c1C(=O)OCc2ccccc2)c3ccc(cc3)F)C(=O)OC
• InChI: 1S/C22H21FN2O4/c1-14(2)18-19(21(26)28-3)24-25(17-11-9-16(23)10-12-17)20(18)22(27)29-13-15-7-5-4-6-8-15/h4-12,14H,13H2,1-3H3
• InChIKey: LLOBIGBLKDQLBD-UHFFFAOYSA-N

Properties

• Density: 1.222g/cm³ (Cal.)
• Boiling point: 529.543°C at 760 mmHg (Cal.)
• Flash point: 274.058°C (Cal.)
• Refractive index: 1.574 (Cal.)