Azanium 4-[4-[Bis(4-Dimethylaminophenyl)-Hydroxymethyl]-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonate
[CAS# 34815-94-6]

Identification

• Name: Azanium 4-[4-[Bis(4-Dimethylaminophenyl)-Hydroxymethyl]-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonate
• Synonyms: Ammonium 4-[4-[Bis(4-Dimethylaminophenyl)-Hydroxy-Methyl]-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonate; Ammonium 4-[4-[Bis(4-Dimethylaminophenyl)-Hydroxymethyl]-3-Methyl-5-Oxo-4H-Pyrazol-1-Yl]Benzenesulfonate; Ammonium 4-[4-[Bis(4-Dimethylaminophenyl)-Hydroxy-Methyl]-5-Keto-3-Methyl-4H-Pyrazol-1-Yl]Benzenesulfonate
• Molecular Formula: C₂₇H₃₃N₅O₅S
• Molecular Weight: 539.65
• CAS Registry Number: 34815-94-6
• SMILES: C4=C(C(O)(C1C(=NN(C1=O)C2=CC=C([S]([O-])(=O)=O)C=C2)C)C3=CC=C(N(C)C)C=C3)C=CC(=C4)N(C)C.[NH4+]
• InChI: 1S/C27H30N4O5S.H3N/c1-18-25(26(32)31(28-18)23-14-16-24(17-15-23)37(34,35)36)27(33,19-6-10-21(11-7-19)29(2)3)20-8-12-22(13-9-20)30(4)5;/h6-17,25,33H,1-5H3,(H,34,35,36);1H3
• InChIKey: BCTILSWHJRTUIE-UHFFFAOYSA-N

Properties

• Boiling point: 822°C at 760 mmHg (Cal.)
• Flash point: 450.9°C (Cal.)