Ammonium Hydrogen 4-[3-[4-(Dimethylamino)Phenyl]Allylidene]-4,5-Dihydro-5-Oxo-1-(4-Sulphonatophenyl)-1H-Pyrazole-3-Carboxylate
[CAS# 94266-11-2]

Identification

• Name: Ammonium Hydrogen 4-[3-[4-(Dimethylamino)Phenyl]Allylidene]-4,5-Dihydro-5-Oxo-1-(4-Sulphonatophenyl)-1H-Pyrazole-3-Carboxylate
• Synonyms: Ammonium 4-[(4Z)-3-Carboxy-4-[(E)-3-(4-Dimethylaminophenyl)Prop-2-Enylidene]-5-Oxo-Pyrazol-1-Yl]Benzenesulfonate; Ammonium 4-[(4Z)-3-Carboxy-4-[(E)-3-(4-Dimethylaminophenyl)Prop-2-Enylidene]-5-Oxo-1-Pyrazolyl]Benzenesulfonate; Ammonium 4-[(4Z)-3-Carboxy-4-[
• Molecular Formula: C₂₁H₂₂N₄O₆S
• Molecular Weight: 458.49
• CAS Registry Number: 94266-11-2
• EINECS: 304-417-1
• SMILES: C3=C(N1N=C(C(/C1=O)=C/C=C/C2=CC=C(N(C)C)C=C2)C(O)=O)C=CC(=C3)[S]([O-])(=O)=O.[NH4+]
• InChI: 1S/C21H19N3O6S.H3N/c1-23(2)15-8-6-14(7-9-15)4-3-5-18-19(21(26)27)22-24(20(18)25)16-10-12-17(13-11-16)31(28,29)30;/h3-13H,1-2H3,(H,26,27)(H,28,29,30);1H3/b4-3+,18-5-
• InChIKey: XYDHMXMCRGEIPH-PQXOWKIQSA-N

Properties

• Boiling point: 756.9°C at 760 mmHg (Cal.)
• Flash point: 411.6°C (Cal.)