2-4-(4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl)Azophenyl-6-Methyl-7-Benzothiazolesulfonic Acid Compd. With 2,2,2-Nitrilotrisethanol (1:1)
[CAS# 70776-28-2]

Identification

• Name: 2-4-(4,5-Dihydro-3-Methyl-5-Oxo-1H-Pyrazol-4-Yl)Azophenyl-6-Methyl-7-Benzothiazolesulfonic Acid Compd. With 2,2,2-Nitrilotrisethanol (1:1)
• Synonyms: 2-(Bis(2-Hydroxyethyl)Amino)Ethanol; 6-Methyl-2-[4-[(3-Methyl-5-Oxo-1,4-Dihydropyrazol-4-Yl)Azo]Phenyl]-1,3-Benzothiazole-7-Sulfonic Acid; 2-(Bis(2-Hydroxyethyl)Amino)Ethanol; 2-[4-[(3-Keto-5-Methyl-2,4-Dihydropyrazol-4-Yl)Azo]Phenyl]-6-Methyl-1,3-Benzothiazole-7-Sulfonic Acid; 6-Methyl-2-(P((3-Methyl-5-Oxo-2-Pyrazolin-4-Yl)Azo)Phenyl)-7-Benzothiazolesulfonic Acid, Compd. With 2,2',2''-Nitrilotriethanol (1:1)
• Molecular Formula: C₂₄H₃₀N₆O₇S₂
• Molecular Weight: 578.66
• CAS Registry Number: 70776-28-2
• SMILES: C2=C1N=C(SC1=C([S](=O)(=O)O)C(=C2)C)C4=CC=C(N=NC3C(=O)NN=C3C)C=C4.C(N(CCO)CCO)CO
• InChI: 1S/C18H15N5O4S2.C6H15NO3/c1-9-3-8-13-15(16(9)29(25,26)27)28-18(19-13)11-4-6-12(7-5-11)21-22-14-10(2)20-23-17(14)24;8-4-1-7(2-5-9)3-6-10/h3-8,14H,1-2H3,(H,23,24)(H,25,26,27);8-10H,1-6H2
• InChIKey: SZXSYHQSZIBLRO-UHFFFAOYSA-N

Properties

• Boiling point: 846.5°C at 760 mmHg (Cal.)
• Flash point: 465.8°C (Cal.)