2-[2-(2-Chloro-1,1,2-Trifluoroethoxy)Phenyl]-5-[[4-(Hexadecylsulphonyl)Phenyl]Amino]-2,4-Dihydro-3H-Pyrazol-3-One
[CAS# 84100-61-8]

Identification

• Name: 2-[2-(2-Chloro-1,1,2-Trifluoroethoxy)Phenyl]-5-[[4-(Hexadecylsulphonyl)Phenyl]Amino]-2,4-Dihydro-3H-Pyrazol-3-One
• Synonyms: 2-[2-(2-Chloro-1,1,2-Trifluoro-Ethoxy)Phenyl]-5-[(4-Hexadecylsulfonylphenyl)Amino]-4H-Pyrazol-3-One; 5-[(4-Cetylsulfonylphenyl)Amino]-2-[2-(2-Chloro-1,1,2-Trifluoro-Ethoxy)Phenyl]-4H-Pyrazol-3-One; 2-(2-(2-Chloro-1,1,2-Trifluoroethoxy)Phenyl)-5-((4-(Hexadecylsulphonyl)Phenyl)Amino)-2,4-Dihydro-3H-Pyrazol-3-One
• Molecular Formula: C₃₃H₄₅ClF₃N₃O₄S
• Molecular Weight: 672.24
• CAS Registry Number: 84100-61-8
• EINECS: 282-142-5
• SMILES: C1=C([S](=O)(=O)CCCCCCCCCCCCCCCC)C=CC(=C1)NC2=NN(C(=O)C2)C3=C(OC(F)(F)C(Cl)F)C=CC=C3
• InChI: 1S/C33H45ClF3N3O4S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-45(42,43)27-22-20-26(21-23-27)38-30-25-31(41)40(39-30)28-18-15-16-19-29(28)44-33(36,37)32(34)35/h15-16,18-23,32H,2-14,17,24-25H2,1H3,(H,38,39)
• InChIKey: ANNZWPZMJJEIQM-UHFFFAOYSA-N

Properties

• Density: 1.236g/cm³ (Cal.)
• Boiling point: 703.364°C at 760 mmHg (Cal.)
• Flash point: 379.181°C (Cal.)