| Identification | Back Directory | [Name]
Tembotrione metabolite AE 1417268
| [CAS]
912654-91-2 | [Synonyms]
Tembotrione-4,6-dihydroxy
Tembotrione metabolite AE 1417268
2-[2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl]-4,6-dihydroxy-1,3-cyclohexanedione
1,3-Cyclohexanedione, 2-[2-chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl]-4,6-dihydroxy- | [Molecular Formula]
C17H16ClF3O8S | [MDL Number]
MFCD16652545 | [MOL File]
912654-91-2.mol | [Molecular Weight]
472.82 |
| Chemical Properties | Back Directory | [Boiling point ]
705.3±60.0 °C(Predicted) | [density ]
1.596±0.06 g/cm3(Predicted) | [storage temp. ]
2-8°C | [pka]
1.46±0.70(Predicted) | [Major Application]
agriculture
environmental | [InChI]
1S/C17H16ClF3O8S/c1-30(27,28)11-3-2-7(13(18)8(11)5-29-6-17(19,20)21)14(24)12-15(25)9(22)4-10(23)16(12)26/h2-3,9-10,12,22-23H,4-6H2,1H3 | [InChIKey]
KGPIRVWYAUCFAI-UHFFFAOYSA-N | [SMILES]
CS(=O)(=O)c1ccc(c(Cl)c1COCC(F)(F)F)C(=O)C2C(=O)C(O)CC(O)C2=O |
| Hazard Information | Back Directory | [Uses]
2-[2-Chloro-4-(methylsulfonyl)-3-[(2,2,2-trifluoroethoxy)methyl]benzoyl]-4,6-dihydroxy-1,3-cyclohexanedione can be used to treat alkaptonuria and tyrosinemia type 1 using inhibitors of 4-HPPD. |
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| Company Name: |
Merck KGaA
|
| Tel: |
21-20338288 |
| Website: |
www.sigmaaldrich.cn |
|