3-[[4-[(4-Chlorophenyl)Sulphonyl]-4,5-Dihydro-1-Phenyl-1H-Pyrazol-3-Yl]Oxy]Propyl(Dimethyl)Ammonium Methanesulphonate
[CAS# 97158-45-7]

Identification

• Name: 3-[[4-[(4-Chlorophenyl)Sulphonyl]-4,5-Dihydro-1-Phenyl-1H-Pyrazol-3-Yl]Oxy]Propyl(Dimethyl)Ammonium Methanesulphonate
• Synonyms: 3-[4-(4-Chlorophenyl)Sulfonyl-1-(1-Cyclohexa-1,5-Dienyl)Pyrazol-3-Yl]Oxypropyl-Dimethyl-Ammonium; Methanesulfonate; 3-[[4-(4-Chlorophenyl)Sulfonyl-1-(1-Cyclohexa-1,5-Dienyl)-3-Pyrazolyl]Oxy]Propyl-Dimethylammonium; Methanesulfonate; 3-[4-(4-Chlorophenyl)Sul
• Molecular Formula: C₂₁H₂₈ClN₃O₆S₂
• Molecular Weight: 518.04
• CAS Registry Number: 97158-45-7
• EINECS: 306-374-4
• SMILES: C2=C([S](=O)(=O)C1=CC=C(Cl)C=C1)C(=N[N]2C3=CCCC=C3)OCCC[NH+](C)C.C[S]([O-])(=O)=O
• InChI: 1S/C20H24ClN3O3S.CH4O3S/c1-23(2)13-6-14-27-20-19(15-24(22-20)17-7-4-3-5-8-17)28(25,26)18-11-9-16(21)10-12-18;1-5(2,3)4/h4,7-12,15H,3,5-6,13-14H2,1-2H3;1H3,(H,2,3,4)
• InChIKey: HRAQAJYVAUBYBL-UHFFFAOYSA-N

Properties

• Boiling point: 657.4°C at 760 mmHg (Cal.)
• Flash point: 351.4°C (Cal.)