(4aS,9aS)-4,5-Dihydroxy-6-Nitro-1-(Phenylamino)-4a,9a-Dihydroanthracene-9,10-Dione
[CAS# 75431-62-8]

Identification

• Name: (4aS,9aS)-4,5-Dihydroxy-6-Nitro-1-(Phenylamino)-4a,9a-Dihydroanthracene-9,10-Dione
• Synonyms: (4As,9As)-4,5-Dihydroxy-6-Nitro-1-(Phenylamino)-4A,9A-Dihydroanthracene-9,10-Quinone; 1-Anilino-4,5-Dihydroxy-6-Nitroanthraquinone; 9,10-Anthracenedione, 1,8-Dihydroxy-2-Nitro-5-(Phenylamino)-
• Molecular Formula: C₂₀H₁₄N₂O₆
• Molecular Weight: 378.34
• CAS Registry Number: 75431-62-8
• SMILES: [C@H]12C(C4=C(C(=O)[C@@H]1C(=CC=C2NC3=CC=CC=C3)O)C(=C(C=C4)[N+]([O-])=O)O)=O
• InChI: 1S/C20H14N2O6/c23-14-9-7-12(21-10-4-2-1-3-5-10)16-17(14)20(26)15-11(18(16)24)6-8-13(19(15)25)22(27)28/h1-9,16-17,21,23,25H/t16-,17-/m1/s1
• InChIKey: UIBGMITYPBEBJQ-IAGOWNOFSA-N

Properties

• Density: 1.603g/cm³ (Cal.)
• Boiling point: 665.032°C at 760 mmHg (Cal.)
• Flash point: 355.999°C (Cal.)