1-Amino-4-(4-Methylphenylsulfonamido)-2-Anthraquinonesulfonic Acid, Phenyl Ester
[CAS# 56222-83-4]

Identification

• Name: 1-Amino-4-(4-Methylphenylsulfonamido)-2-Anthraquinonesulfonic Acid, Phenyl Ester
• Synonyms: Phenyl 1-Amino-4-[(4-Methylphenyl)Sulfonylamino]-9,10-Dioxo-Anthracene-2-Sulfonate; 1-Amino-4-[(4-Methylphenyl)Sulfonylamino]-9,10-Dioxo-2-Anthracenesulfonic Acid Phenyl Ester; 1-Amino-9,10-Diketo-4-[(4-Methylphenyl)Sulfonylamino]Anthracene-2-Sulfonic Acid Phenyl Ester
• Molecular Formula: C₂₇H₂₀N₂O₇S₂
• Molecular Weight: 548.58
• CAS Registry Number: 56222-83-4
• SMILES: C1=CC2=C(C=C1)C(=O)C3=C(C2=O)C(=C(C=C3N[S](=O)(=O)C4=CC=C(C=C4)C)[S](=O)(=O)OC5=CC=CC=C5)N
• InChI: 1S/C27H20N2O7S2/c1-16-11-13-18(14-12-16)37(32,33)29-21-15-22(38(34,35)36-17-7-3-2-4-8-17)25(28)24-23(21)26(30)19-9-5-6-10-20(19)27(24)31/h2-15,29H,28H2,1H3
• InChIKey: XRCIHAXFOYOKAF-UHFFFAOYSA-N

Properties

• Density: 1.522g/cm³ (Cal.)
• Boiling point: 811.622°C at 760 mmHg (Cal.)
• Flash point: 444.653°C (Cal.)