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| IUPAC Name: | 1-(4-chloro-2-fluoro-5-methylphenyl)-4,4,4-trifluorobutane-1,3-dione |
| Description: | 1,1,1-Trifluoro-4-(4-chloro-2-fluoro-5-methylphenyl)-2,4-butanedione is an intermediate in the synthesis of Fluazolate (F407500), the active ingredient in the preparation of agrochemicals and drugs in amorphous form. |
| Molecular Weight: | 282.62 |
| Molecular Formula: | C11H7ClF4O2 |
| Canonical SMILES: | CC1=CC(=C(C=C1Cl)F)C(=O)CC(=O)C(F)(F)F |
| InChI: | InChI=1S/C11H7ClF4O2/c1-5-2-6(8(13)3-7(5)12)9(17)4-10(18)11(14,15)16/h2-3H,4H2,1H3 |
| InChI Key: | MKHDLSGGKWVJRI-UHFFFAOYSA-N |
| Solubility: | DCM, Ethyl Acetate |
| Appearance: | Pale Yellow Powder |
| References: | Zhou, Y., et al. J. Heterocycle. Chem., 47, 1310 (2010). |
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