2-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one
[CAS# 5844-18-8]

Identification

• Name: 2-[4-(4-Fluorophenyl)-1,3-thiazol-2-yl]-4,5-dimethyl-4H-pyrazol-3-one
• Synonyms: 2-[4-(4-Fluorophenyl)Thiazol-2-Yl]-4,5-Dimethyl-4H-Pyrazol-3-One; 2-[4-(4-Fluorophenyl)-2-Thiazolyl]-4,5-Dimethyl-4H-Pyrazol-3-One; Bas 00989820
• Molecular Formula: C₁₄H₁₂FN₃OS
• Molecular Weight: 289.33
• CAS Registry Number: 5844-18-8
• SMILES: C2=C(N=C(N1N=C(C)C(C1=O)C)S2)C3=CC=C(F)C=C3
• InChI: 1S/C14H12FN3OS/c1-8-9(2)17-18(13(8)19)14-16-12(7-20-14)10-3-5-11(15)6-4-10/h3-8H,1-2H3
• InChIKey: AGENANJGILSBHU-UHFFFAOYSA-N

Properties

• Density: 1.407g/cm³ (Cal.)
• Boiling point: 421.563°C at 760 mmHg (Cal.)
• Flash point: 208.754°C (Cal.)