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| IUPAC Name: | 2-chloro-1-(2,4-dichlorophenyl)ethanone |
| Description: | 2,2',4'-Trichloroacetophenone (CAS# 4252-78-2) is a reagent used in the synthesis of isoconazole, a potent antifungal agent. |
| Molecular Weight: | 223.48 |
| Molecular Formula: | C8H5Cl3O |
| Canonical SMILES: | C1=CC(=C(C=C1Cl)Cl)C(=O)CCl |
| InChI: | InChI=1S/C8H5Cl3O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2 |
| InChI Key: | VYWPPRLJNVHPEU-UHFFFAOYSA-N |
| Boiling Point: | 130-135 ℃ (4 mmHg) |
| Melting Point: | 126 to 131 °F |
| Flash Point: | greater than 235 °F |
| Density: | 1.312 g/cm3 |
| Solubility: | less than 1 mg/mL at 68 °F |
| Appearance: | Off-white crystalline solid. |
| MDL: | MFCD00000934 |
| LogP: | 3.41490 |
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