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6-(2-Buten-2-Yl)-2,4,7-Trichloro-3,8-Dihydroxy-1,9-Dimethyl-11H-Dibenzo[b,e][1,4]Dioxepin-11-One
[CAS# 33403-37-1]
Identification
Name |
6-(2-Buten-2-Yl)-2,4,7-Trichloro-3,8-Dihydroxy-1,9-Dimethyl-11H-Dibenzo[b,e][1,4]Dioxepin-11-One |
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Molecular Structure |
![CAS#: 33403-37-1, 6-(2-Buten-2-Yl)-2,4,7-Trichloro-3,8-Dihydroxy-1,9-Dimethyl-11H-Dibenzo[b,e][1,4]Dioxepin-11-One](/moreStructures/33403-37-1.gif) |
Molecular Formula |
C19H15Cl3O5 |
Molecular Weight |
429.68 |
CAS Registry Number |
33403-37-1 |
SMILES |
C/C(=C\C)c1c(Cl)c(O)c(C)c2OC(=O)c3c(C)c(Cl)c(O)c(Cl)c3Oc12 |
InChI |
1S/C19H15Cl3O5/c1-5-6(2)9-12(21)14(23)8(4)16-18(9)26-17-10(19(25)27-16)7(3)11(20)15(24)13(17)22/h5,23-24H,1-4H3 |
InChIKey |
XEQDVQKKHOQZEP-UHFFFAOYSA-N |
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Properties
Density |
1.489g/cm3 (Cal.) |
Boiling point |
623.923°C at 760 mmHg (Cal.) |
Flash point |
331.137°C (Cal.) |
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