1,1,7-Trichloro-1-hepten-3-one

Basic Information

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CAS Number

158355-41-0

Molecular Formula

C7H9Cl3O

Molecular Weight

215.51 g/mol

Basic Physical Properties

Boiling Point

268.2±40.0 ºC (760 Torr),

Flash Point

111.1±27.9 ºC,

SMILES

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Cl/C(Cl)=C/C(=O)CCCCCl

InChI

InChI=1S/C7H9Cl3O/c8-4-2-1-3-6(11)5-7(9)10/h5H,1-4H2

InChIKey

YTMNPJGKBMARFZ-UHFFFAOYSA-N

LogP

3.2836000000000016

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Synonyms & References

English

1,1,7-trichloro-1-hepten-3-one
1,1,7-trichlorohept-1-en-3-one

MDL Number

MFCD24464824

FAQ

What are the physical and chemical properties of 1,1,7-Trichloro-1-hepten-3-one (CAS: 158355-41-0)?

1,1,7-Trichloro-1-hepten-3-one is a colorless to slightly yellow liquid with a molecular weight of approximately 225.01 g/mol. It has a low solubility in water but is soluble in organic solvents like ethanol and chloroform. The compound is moderately reactive, showing susceptibility to base-catalyzed hydrolysis. It crystallizes in the orthorhombic system at temperatures below 10°C.

How is 1,1,7-Trichloro-1-hepten-3-one (CAS: 158355-41-0) typically synthesized?

1,1,7-Trichloro-1-hepten-3-one can be synthesized via a multistep process involving the chlorination of 1-hepten-3-one followed by an alkylation reaction. Commonly used catalysts include Lewis acids like aluminum chloride, and the overall procedure typically yields 70-85% of the desired product, depending on the selectivity and purity of the starting materials.

What industries use 1,1,7-Trichloro-1-hepten-3-one (CAS: 158355-41-0)?

1,1,7-Trichloro-1-hepten-3-one is utilized in various industries. It finds applications in organic synthesis as a precursor for other chlorinated compounds, and in the formulation of certain solvents and cleaning agents. Additionally, it is used in the production of flavors and fragrances, as well as in the development of analytical reagents for chromatographic analyses.

What precautions should be taken when handling 1,1,7-Trichloro-1-hepten-3-one (CAS: 158355-41-0)?

When handling 1,1,7-Trichloro-1-hepten-3-one, it is recommended to use personal protective equipment (PPE) such as gloves, goggles, and a lab coat. The compound should be used in a well-ventilated area or fume hood to minimize inhalation risks. Spills should be cleaned up immediately using appropriate absorbent materials. In case of exposure, seek medical attention and refer to the Safety Data Sheet (SDS) for further guidance.