4-Chloro-3-{(4Z)-4-[4-(Dimethylamino)Benzylidene]-3-Methyl-5-Oxo-4,5-Dihydro-1H-Pyrazol-1-Yl}Benzenesulfonic Acid - N,N-Diethylethanamine (1:1)
[CAS# 143193-48-0]

Identification

• Name: 4-Chloro-3-{(4Z)-4-[4-(Dimethylamino)Benzylidene]-3-Methyl-5-Oxo-4,5-Dihydro-1H-Pyrazol-1-Yl}Benzenesulfonic Acid - N,N-Diethylethanamine (1:1)
• Synonyms: 1- -3-METHYL-4- -2-PYRAZOLIN-5-ONETRIETHYLAMMONIUMSALT; 1-(2-CHLORO-5-SULFOPHENYL)-3-METHYL-4-(4-DIMETHYLAMINOBENZYLIDENE)-2-PYRAZOLIN-5-ONE TRIETHYLAMMONIUM SALT; 3-(4-{[4-(dimethylamino)phenyl]methylene}-3-methyl-5-oxo(1,2-diazolinyl))-4-ch lorobenzenesulfonic acid, triethylamine
• Molecular Formula: C₂₅H₃₃ClN₄O₄S
• Molecular Weight: 521.07
• CAS Registry Number: 143193-48-0
• SMILES: CCN(CC)CC.CN(C)c1ccc(cc1)/C=C3C(\C)=N/N(c2cc(ccc2Cl)S(O)(=O)=O)C3=O
• InChI: 1S/C19H18ClN3O4S.C6H15N/c1-12-16(10-13-4-6-14(7-5-13)22(2)3)19(24)23(21-12)18-11-15(28(25,26)27)8-9-17(18)20;1-4-7(5-2)6-3/h4-11H,1-3H3,(H,25,26,27);4-6H2,1-3H3/b16-10-
• InChIKey: GDMMFAHFEBIZNT-HYMQDMCPSA-N

Properties

• Boiling point: 674.6°C at 760 mmHg (Cal.)
• Flash point: 361.8°C (Cal.)
• Refractive index: (Cal.)