2,7-Dimethylnaphthalene, 2,4,6-Trinitrobenzene-1,3-Diol
[CAS# 7509-98-0]

Identification

• Name: 2,7-Dimethylnaphthalene, 2,4,6-Trinitrobenzene-1,3-Diol
• Synonyms: 2,7-Dimethylnaphthalene; 2,4,6-Trinitroresorcinol; Nsc406004
• Molecular Formula: C₁₈H₁₅N₃O₈
• Molecular Weight: 401.33
• CAS Registry Number: 7509-98-0
• SMILES: C1=C([N+]([O-])=O)C(=C([N+]([O-])=O)C(=C1[N+]([O-])=O)O)O.C2=C(C=CC3=C2C=C(C=C3)C)C
• InChI: 1S/C12H12.C6H3N3O8/c1-9-3-5-11-6-4-10(2)8-12(11)7-9;10-5-2(7(12)13)1-3(8(14)15)6(11)4(5)9(16)17/h3-8H,1-2H3;1,10-11H
• InChIKey: FSJWEYWFUCZIMB-UHFFFAOYSA-N

Properties

• Boiling point: 292.6°C at 760 mmHg (Cal.)
• Flash point: 126.8°C (Cal.)