Sodium [(4-Methoxyphenyl)Amino] 1-Amino-9,10-Dioxoanthracene-2-Sulfonate
[CAS# 78510-27-7]

Identification

• Name: Sodium [(4-Methoxyphenyl)Amino] 1-Amino-9,10-Dioxoanthracene-2-Sulfonate
• Synonyms: Sodium [(4-Methoxyphenyl)Amino] 1-Amino-9,10-Dioxo-Anthracene-2-Sulfonate; Sodium 1-Amino-9,10-Dioxo-2-Anthracenesulfonic Acid [(4-Methoxyphenyl)Amino] Ester; Sodium 1-Amino-9,10-Diketo-Anthracene-2-Sulfonic Acid [(4-Methoxyphenyl)Amino] Ester
• Molecular Formula: C₂₁H₁₆N₂NaO₆S
• Molecular Weight: 447.42
• CAS Registry Number: 78510-27-7
• EINECS: 278-930-3
• SMILES: C1=CC(=C(N)C2=C1C(=O)C3=C(C2=O)C=CC=C3)[S](ONC4=CC=C(OC)C=C4)(=O)=O.[Na+]
• InChI: 1S/C21H16N2O6S.Na/c1-28-13-8-6-12(7-9-13)23-29-30(26,27)17-11-10-16-18(19(17)22)21(25)15-5-3-2-4-14(15)20(16)24;/h2-11,23H,22H2,1H3;/q;+1
• InChIKey: ZBCXYYYKTWBGDX-UHFFFAOYSA-N

Properties

• Boiling point: 680.9°C at 760 mmHg (Cal.)
• Flash point: 365.6°C (Cal.)