2-[2-(2-Chloro-1,1,2-Trifluoroethoxy)Phenyl]-5-[[4-(Hexadecylsulphonyl)Phenyl]Amino]-2,4-Dihydro-4-[[4-(2-Phenoxyethoxy)Phenyl]Azo]-3H-Pyrazol-3-One
[CAS# 64485-21-8]

Identification

• Name: 2-[2-(2-Chloro-1,1,2-Trifluoroethoxy)Phenyl]-5-[[4-(Hexadecylsulphonyl)Phenyl]Amino]-2,4-Dihydro-4-[[4-(2-Phenoxyethoxy)Phenyl]Azo]-3H-Pyrazol-3-One
• Synonyms: 2-[2-(2-Chloro-1,1,2-Trifluoro-Ethoxy)Phenyl]-5-[(4-Hexadecylsulfonylphenyl)Amino]-4-[4-[2-(Phenoxy)Ethoxy]Phenyl]Azo-4H-Pyrazol-3-One; 2-[2-(2-Chloro-1,1,2-Trifluoroethoxy)Phenyl]-5-[(4-Hexadecylsulfonylphenyl)Amino]-4-[4-[2-(Phenoxy)Ethoxy]Phenyl]Azo-4H-Pyrazol-3-One; 5-[(4-Cetylsulfonylphenyl)Amino]-2-[2-(2-Chloro-1,1,2-Trifluoro-Ethoxy)Phenyl]-4-[4-[2-(Phenoxy)Ethoxy]Phenyl]Azo-4H-Pyrazol-3-One
• Molecular Formula: C₄₇H₅₇ClF₃N₅O₆S
• Molecular Weight: 912.51
• CAS Registry Number: 64485-21-8
• EINECS: 264-909-6
• SMILES: C1=C([S](=O)(=O)CCCCCCCCCCCCCCCC)C=CC(=C1)NC2=NN(C(=O)C2N=NC4=CC=C(OCCOC3=CC=CC=C3)C=C4)C5=C(OC(F)(F)C(Cl)F)C=CC=C5
• InChI: 1S/C47H57ClF3N5O6S/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-35-63(58,59)40-31-27-36(28-32-40)52-44-43(45(57)56(55-44)41-23-18-19-24-42(41)62-47(50,51)46(48)49)54-53-37-25-29-39(30-26-37)61-34-33-60-38-21-16-15-17-22-38/h15-19,21-32,43,46H,2-14,20,33-35H2,1H3,(H,52,55)
• InChIKey: QCTQTJNTOCQOJL-UHFFFAOYSA-N

Properties

• Density: 1.245g/cm³ (Cal.)
• Boiling point: 895.919°C at 760 mmHg (Cal.)
• Flash point: 495.634°C (Cal.)