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1,1-Dichloro-3,3-dimethyl-2-butanone(CAS: 22591-21-5)

1,1-Dichloro-3,3-dimethyl-2-butanone
CAS Number

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Basic Information

Molecular Formula
C6H10Cl2O
Molecular Weight
169.05 g/mol

Physical Properties

Melting Point
50.0 to 52.0 deg-C
Boiling Point
178°C(lit.)
Flash Point
65 ºC

Chemical Identifiers

SMILES
CC(C)(C)C(=O)C(Cl)Cl
InChIKey
UDWZXMQIEHAAQT-UHFFFAOYSA-N

Database References

MDL Number
MFCD00069423
Beilstein Registry Number
1752918

FAQ

1,1-Dichloro-3,3-dimethyl-2-butanone is a colorless or slightly yellow liquid with a density of 1.239 g/cm³ and a boiling point of 138°C. It has a molecular weight of 168.04 g/mol and a melting point of -15°C. The compound is soluble in water and organic solvents. It is moderately reactive, particularly towards nucleophiles and reducing agents.
1,1-Dichloro-3,3-dimethyl-2-butanone is typically synthesized through the reaction of acetone with chlorine in the presence of a catalyst such as aluminum chloride. The reaction involves the chlorination of the α-hydrogen of acetone. The yield of the product is around 80-90%, and the process is selective towards the chlorination of the α-hydrogen.
1,1-Dichloro-3,3-dimethyl-2-butanone is used in the pharmaceutical industry for the synthesis of certain drugs, in the polymer industry for the production of specific polymers, and in the chemical industry for various intermediate applications. It is also utilized in the preparation of sensors and in semiconductor applications.
When handling 1,1-Dichloro-3,3-dimethyl-2-butanone, it is important to wear appropriate personal protective equipment (PPE), including gloves, safety goggles, and a lab coat. The substance should be stored in a cool, dry place, away from sources of heat and ignition. In case of a spill, it should be handled in a fume hood, and the area should be well-ventilated. Safety data sheets (SDS) should be consulted for detailed information on handling and emergency procedures.

Safety Notice

Please verify product specifications and safety data before use. Contact the supplier for detailed safety information.

Always follow proper handling procedures

Contact Information

Contact Person

Miss Zhou

Email

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