1,2-Dihydro-1,2-Dihydroxy-6-Nitrochrysene
[CAS# 91828-72-7]

Identification

• Name: 1,2-Dihydro-1,2-Dihydroxy-6-Nitrochrysene
• Synonyms: (E)-1,2-Dihydro-6-Nitrochrysene-1,2-Diol; 1,2-Chrysenediol, 1,2-Dihydro-6-Nitro-, Trans-; 1,2-Dihydro-1,2-Dihydroxy-6-Nitrochrysene
• Molecular Formula: C₁₈H₁₃NO₄
• Molecular Weight: 307.31
• CAS Registry Number: 91828-72-7
• SMILES: [C@H]4(O)C3=C(C1=C(C2=C(C(=C1)[N+]([O-])=O)C=CC=C2)C=C3)C=C[C@@H]4O
• InChI: 1S/C18H13NO4/c20-17-8-7-12-14(18(17)21)6-5-11-10-3-1-2-4-13(10)16(19(22)23)9-15(11)12/h1-9,17-18,20-21H/t17-,18-/m0/s1
• InChIKey: LZFRXTYVXJWZHG-ROUUACIJSA-N

Properties

• Density: 1.509g/cm³ (Cal.)
• Boiling point: 591.175°C at 760 mmHg (Cal.)
• Flash point: 245.875°C (Cal.)