4,5-Dihydroxy-2-Hydroxymethyl-1,3,6,8-Tetranitroanthraquinone
[CAS# 567-95-3]

Identification

• Name: 4,5-Dihydroxy-2-Hydroxymethyl-1,3,6,8-Tetranitroanthraquinone
• Synonyms: 4,5-Dihydroxy-2-(Hydroxymethyl)-1,3,6,8-Tetranitro-Anthracene-9,10-Dione; 4,5-Dihydroxy-2-Methylol-1,3,6,8-Tetranitro-9,10-Anthraquinone; 4,5-Dihydroxy-2-Hydroxymethyl-1,3,6,8-Tetranitroanthraquinone
• Molecular Formula: C₁₅H₆N₄O₁₃
• Molecular Weight: 450.23
• CAS Registry Number: 567-95-3
• EINECS: 209-307-6
• SMILES: C3=C([N+]([O-])=O)C2=C(C(=O)C1=C(O)C(=C(C(=C1C2=O)[N+]([O-])=O)CO)[N+]([O-])=O)C(=C3[N+]([O-])=O)O
• InChI: 1S/C15H6N4O13/c20-2-3-10(18(29)30)7-9(15(24)11(3)19(31)32)14(23)8-6(13(7)22)4(16(25)26)1-5(12(8)21)17(27)28/h1,20-21,24H,2H2
• InChIKey: QFCNNIIPXGJBQT-UHFFFAOYSA-N

Properties

• Density: 2.074g/cm³ (Cal.)
• Boiling point: 774.386°C at 760 mmHg (Cal.)
• Flash point: 310.803°C (Cal.)