1,8-Dihydroxy-2,4,5,7-Tetranitroanthraquinone
[CAS# 517-92-0]

Identification

• Name: 1,8-Dihydroxy-2,4,5,7-Tetranitroanthraquinone
• Synonyms: 1,8-Dihydroxy-2,4,5,7-Tetranitro-Anthracene-9,10-Dione; 1,8-Dihydroxy-2,4,5,7-Tetranitro-9,10-Anthraquinone; Ncgc00160560-01
• Molecular Formula: C₁₄H₄N₄O₁₂
• Molecular Weight: 420.21
• CAS Registry Number: 517-92-0
• EINECS: 208-246-2
• SMILES: C2=C(C(=C1C(C3=C(C(C1=C2[N+]([O-])=O)=O)C(=CC(=C3O)[N+]([O-])=O)[N+]([O-])=O)=O)O)[N+]([O-])=O
• InChI: 1S/C14H4N4O12/c19-11-5(17(27)28)1-3(15(23)24)7-9(11)14(22)10-8(13(7)21)4(16(25)26)2-6(12(10)20)18(29)30/h1-2,19-20H
• InChIKey: YYOOOMNEONKALI-UHFFFAOYSA-N

Properties

• Density: 2.067g/cm³ (Cal.)
• Boiling point: 700.443°C at 760 mmHg (Cal.)
• Flash point: 286.187°C (Cal.)

References

• (1): Mahsa Armaghan, Mostafa M. Amini and Seik Weng Ng . 1,8-Dihydroxy-2,4,5,7-tetranitro-9,10-anthraquinone , Acta Cryst (2010). E66, o1164Â Â