6-Methoxy-2-nitronaphtho(1,8-bc)pyran
[CAS# 105052-39-9]

Identification

• Name: 6-Methoxy-2-nitronaphtho(1,8-bc)pyran
• Synonyms: 6-Methoxy-2-Nitronaphtho(1,8-Bc)Pyran; Brn 5752126; Ccris 3056
• Molecular Formula: C₁₃H₉NO₄
• Molecular Weight: 243.22
• CAS Registry Number: 105052-39-9
• SMILES: C2=CC=C1C3=C(C=C(O1)[N+](=O)[O-])C=CC(=C23)OC
• InChI: 1S/C13H9NO4/c1-17-10-6-5-8-7-12(14(15)16)18-11-4-2-3-9(10)13(8)11/h2-7H,1H3
• InChIKey: DNZYLXTVVJFKQE-UHFFFAOYSA-N

Properties

• Density: 1.418g/cm³ (Cal.)
• Boiling point: 405.762°C at 760 mmHg (Cal.)
• Flash point: 191.388°C (Cal.)

References

• (1): J. P. Bideau, M. Cotrait, J. P. Buisson and P. Demerseman. Structure of a powerful mutagenic compound; 6-methoxy-2-nitronaphtho[1,8-bc]pyran, Acta Cryst. (1993). C49, 264-267