1-Hydroxy-4-[[4-[(Methylsulfonyl)Oxy]Phenyl]Amino]-9,10-Anthracenedione
[CAS# 1594-08-7]

Identification

• Name: 1-Hydroxy-4-[[4-[(Methylsulfonyl)Oxy]Phenyl]Amino]-9,10-Anthracenedione
• Synonyms: [4-[(4-Hydroxy-9,10-Dioxo-1-Anthryl)Amino]Phenyl] Methanesulfonate; Methanesulfonic Acid [4-[(4-Hydroxy-9,10-Dioxo-1-Anthryl)Amino]Phenyl] Ester; Methanesulfonic Acid [4-[(4-Hydroxy-9,10-Diketo-1-Anthryl)Amino]Phenyl] Ester
• Molecular Formula: C₂₁H₁₅NO₆S
• Molecular Weight: 409.41
• CAS Registry Number: 1594-08-7
• EINECS: 216-475-4
• SMILES: C1=CC(=CC=C1O[S](=O)(=O)C)NC4=C3C(=O)C2=C(C=CC=C2)C(C3=C(C=C4)O)=O
• InChI: 1S/C21H15NO6S/c1-29(26,27)28-13-8-6-12(7-9-13)22-16-10-11-17(23)19-18(16)20(24)14-4-2-3-5-15(14)21(19)25/h2-11,22-23H,1H3
• InChIKey: NTZOUXAZCADJBZ-UHFFFAOYSA-N

Properties

• Density: 1.524g/cm³ (Cal.)
• Boiling point: 621.799°C at 760 mmHg (Cal.)
• Flash point: 329.852°C (Cal.)