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2,3,4,5,6,6-Hexachloro-2,4-Cyclohexadien-1-One
[CAS# 21306-21-8]

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Identification
Name 2,3,4,5,6,6-Hexachloro-2,4-Cyclohexadien-1-One
Synonyms 2,3,4,5,6,6-Hexachloro-1-Cyclohexa-2,4-Dienone; 2,4-Cyclohexadien-1-One, 2,3,4,5,6,6-Hexachloro-; Hexachloro-C6one
Molecular Structure CAS#: 21306-21-8, 2,3,4,5,6,6-Hexachloro-2,4-Cyclohexadien-1-One
Molecular Formula C6Cl6O
Molecular Weight 300.78
CAS Registry Number 21306-21-8
SMILES O=C1C(C(=C(Cl)C(=C1Cl)Cl)Cl)(Cl)Cl
InChI 1S/C6Cl6O/c7-1-2(8)4(10)6(11,12)5(13)3(1)9
InChIKey BBLJNWQYENOWPH-UHFFFAOYSA-N
Properties
Density 1.851g/cm3 (Cal.)
Boiling point 233.68°C at 760 mmHg (Cal.)
Flash point 94.739°C (Cal.)
Safety Data
SDS Available
References
(1) Lisa S. Park-Gehrke, John Freudenthal, Werner Kaminsky, Antonio G. DiPasquale and James M. Mayer. Synthesis and oxidation of Cp*IrIII compounds: functionalization of a Cp* methyl group, Dalton Trans., 2009, 1972.
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