1,1,7-trichloro-1-hepten-3-one
- CAS NO.：158355-41-0
- Empirical Formula: C7H9Cl3O
- Molecular Weight: 215.5
- MDL number: MFCD24464824
- SAFETY DATA SHEET (SDS)
- Update Date: 2023-12-26 11:18:50
What is 1,1,7-trichloro-1-hepten-3-one?
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. 
Properties of 1,1,7-trichloro-1-hepten-3-one
| 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 |
Safety information for 1,1,7-trichloro-1-hepten-3-one
Computed Descriptors for 1,1,7-trichloro-1-hepten-3-one
| InChIKey | YTMNPJGKBMARFZ-UHFFFAOYSA-N |
| SMILES | C(/Cl)(\Cl)=C\C(=O)CCCCCl |
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