Tefuryltrione
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Tefuryltrione
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CAS No:
473278-76-1
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Formula:
C20H23ClO7S
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Chemical Name:
Tefuryltrione
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Synonyms:
1,3-Cyclohexanedione,2-[2-chloro-4-(methylsulfonyl)-3-[[(tetrahydro-2-furanyl)methoxy]methyl]benzoyl]-;2-[2-Chloro-4-(methylsulfonyl)-3-[[(tetrahydro-2-furanyl)methoxy]methyl]benzoyl]-1,3-cyclohexanedione;Tefuryltrione;2-[2-Chloro-4-mesyl-3-[(tetrahydrofuran-2-ylmethoxy)methyl]benzoyl]-1,3-cyclohexanedione;AVH 301
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CAS No:
Description
2-{2-chloro-4-(methylsulfonyl)-3-[(tetrahydrofuran-2-ylmethoxy)methyl]benzoyl}cyclohexane-1,3-dione is a beta-triketone that is 2-benzoylcyclohexane-1,3-dione in which the benzoyl group is substituted at positions 2, 3, and 4 by chlorine, (tetrahydrofuran-2-ylmethoxy)methyl, and methylsulfonyl groups, respectively. It is a sulfone, a member of monochlorobenzenes, an ether, an aromatic ketone, a member of cyclohexanones, a member of oxolanes and a beta-triketone.
Safety Information
|Danger|H372 (100%): Causes damage to organs through prolonged or repeated exposure [Danger Specific target organ toxicity, repeated exposure]|P260, P264, P270, P273, P314, P391, and P501|The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.|Warning|H361: Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]|P201, P202, P281, P308+P313, P405, and P501
Computed Properties
Molecular Weight:442.9
XLogP3:1.5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:7
Exact Mass:442.0853019
Monoisotopic Mass:442.0853019
Topological Polar Surface Area:112
Heavy Atom Count:29
Complexity:728
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes
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