Nidulin
[CAS# 1329-04-0]

Identification

• Name: Nidulin
• Synonyms: 2,8,10-Trichloro-9-Hydroxy-3-Methoxy-4,7-Dimethyl-1-[(E)-1-Methylprop-1-Enyl]Benzo[B][1,4]Benzodioxepin-6-One; 2,8,10-Trichloro-9-Hydroxy-3-Methoxy-4,7-Dimethyl-1-[(E)-1-Methylprop-1-Enyl]-6-Benzo[B][1,4]Benzodioxepinone; 1-[(E)-But-2-En-2-Yl]-2,8,10-Trichloro-9-Hydroxy-3-Methoxy-4,7-Dimethyl-Benzo[B][1,4]Benzodioxepin-6-One
• Molecular Formula: C₂₀H₁₇Cl₃O₅
• Molecular Weight: 443.71
• CAS Registry Number: 1329-04-0
• SMILES: CC1=C(C(=C(C2=C1C(OC3=C(O2)C(=C(Cl)C(=C3C)OC)C(=C/C)/C)=O)Cl)O)Cl
• InChI: 1S/C20H17Cl3O5/c1-6-7(2)10-13(22)16(26-5)9(4)17-19(10)27-18-11(20(25)28-17)8(3)12(21)15(24)14(18)23/h6,24H,1-5H3/b7-6+
• InChIKey: FSINAZMQWFDQSD-VOTSOKGWSA-N

Properties

• Density: 1.413g/cm³ (Cal.)
• Boiling point: 601.943°C at 760 mmHg (Cal.)
• Flash point: 317.844°C (Cal.)

References

• (1): Thammarat Aree, Sanya Surerum, Nattaya Ngamrojanavanich and Prasat Kittakoop . (E)-2,4,7-Trichloro-3-hydroxy-8-methoxy-1,9-dimethyl-6-(1-methyl-1-propenyl)-11H-dibenzo[b,e][1,4]dioxepin-11-one monohydrate (nidulin monohydrate) , Acta Cryst (2009). E65, o2470-o2471 Â Â