| Identification | Back Directory | [Name]
1,1,7-trichloro-1-hepten-3-one | [CAS]
158355-41-0 | [Synonyms]
1,1,7-trichloro-1-hepten-3-one
1,1,7-trichlorohept-1-en-3-one
1-Hepten-3-one, 1,1,7-trichloro- | [Molecular Formula]
C7H9Cl3O | [MDL Number]
MFCD24464824 | [MOL File]
158355-41-0.mol | [Molecular Weight]
215.5 |
| Chemical Properties | Back Directory | [Boiling point ]
268.2±40.0 °C(Predicted) | [density ]
1.276±0.06 g/cm3(Predicted) | [InChI]
InChI=1S/C7H9Cl3O/c8-4-2-1-3-6(11)5-7(9)10/h5H,1-4H2 | [InChIKey]
YTMNPJGKBMARFZ-UHFFFAOYSA-N | [SMILES]
C(/Cl)(\Cl)=C\C(=O)CCCCCl |
| Hazard Information | Back Directory | [Synthesis]
100 g (0.62 mol) of 5-Chlorovaleroyl chloride was added dropwise to 78.53 g (0.589 mmol) of aluminium chloride in 150 ml of methylene chloride at room temperature. After stirring for 1 hour, dropwise, 45 ml (0.558 mol) 1,1-dichloroethylene in 25 ml methylene chloride was added. Under ice cooling, dropwise 100 ml water was added, and solid material suction was filtered on Celite. The filtrate was washed with water, and the organic phase was dried and concentrated. The residue was distilled in a rotary evaporator to afford 1,1,7-Trichloro-1-hepten-3-one. Yield: 112.76 g=93.8% of theory.  |
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