2,4,7,9-Tetrachloro-3-Hydroxy-8-Methoxy-1,6-Dimethyl-11H-Dibenzo[b,e][1,4]Dioxepin-11-One
[CAS# 527-93-5]

Identification

• Name: 2,4,7,9-Tetrachloro-3-Hydroxy-8-Methoxy-1,6-Dimethyl-11H-Dibenzo[b,e][1,4]Dioxepin-11-One
• Synonyms: 2,4,8,10-Tetrachloro-9-Hydroxy-3-Methoxy-1,7-Dimethyl-Benzo[B][1,5]Benzodioxepin-6-One; 2,4,8,10-Tetrachloro-9-Hydroxy-3-Methoxy-1,7-Dimethyl-6-Benzo[B][1,5]Benzodioxepinone; 2,4,7,9-Tetrachloro-3-Hydroxy-8-Methoxy-1,6-Dimethyl-11H-Dibenzo[B,E]-[1,4]Dioxepin-11-One
• Molecular Formula: C₁₆H₁₀Cl₄O₅
• Molecular Weight: 424.06
• CAS Registry Number: 527-93-5
• SMILES: CC1=C(Cl)C(=C(Cl)C2=C1OC3=C(C(O2)=O)C(=C(Cl)C(=C3Cl)O)C)OC
• InChI: 1S/C16H10Cl4O5/c1-4-6-13(9(19)11(21)7(4)17)24-12-5(2)8(18)14(23-3)10(20)15(12)25-16(6)22/h21H,1-3H3
• InChIKey: AXZCNBVMHHTPKA-UHFFFAOYSA-N

Properties

• Density: 1.6±0.1g/cm³ (Cal.)
• Boiling point: 592.9±50.0°C at 760 mmHg (Cal.)
• Flash point: 312.4±30.1°C (Cal.)

References

• (1): Mahandru M. Mohan, Tajbakhsh Alireza. Scensidin, a new depsidone from the lichen Buellia canescens(Dicks.) De Not, Journal of the Chemical Society, Perkin Transactions 1, 1983