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1-Chloro-1-(4-chlorophenoxy)-3,3-dimethyl-2-butanone(CAS: 57000-78-9)

1-Chloro-1-(4-chlorophenoxy)-3,3-dimethyl-2-butanone
CAS Number

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Basic Information

Molecular Formula
C12H14Cl2O2
Molecular Weight
261.15 g/mol

Chemical Identifiers

SMILES
CC(C)(C)C(=O)C(OC1=CC=C(C=C1)Cl)Cl
InChIKey
SJEOCSMLOPQAFS-UHFFFAOYSA-N

Database References

MDL Number
MFCD03411890

FAQ

1-Chloro-1-(4-chlorophenoxy)-3,3-dimethyl-2-butanone (CAS: 57000-78-9) is a white crystalline solid with a molecular weight of approximately 289.07 g/mol. It is poorly soluble in water but soluble in organic solvents such as ethanol and acetone. This compound is relatively stable but can undergo hydrolysis in the presence of moisture. It is not highly reactive but should be handled with care due to its halogen-containing groups.
1-Chloro-1-(4-chlorophenoxy)-3,3-dimethyl-2-butanone is typically synthesized via a multistep process involving the reaction of 4-chlorophenol with 2-bromobutane in the presence of a base such as potassium carbonate. The reaction is then followed by a chlorination step to introduce the second chlorine atom. The yield is moderate, and the selectivity is good, making this a viable method for preparing this compound.
1-Chloro-1-(4-chlorophenoxy)-3,3-dimethyl-2-butanone (CAS: 57000-78-9) is used in various industries, particularly in the pharmaceutical and chemical industries. It serves as a precursor in the synthesis of active pharmaceutical ingredients (APIs) and is also used in the production of certain polymers and other chemical intermediates.
When handling 1-Chloro-1-(4-chlorophenoxy)-3,3-dimethyl-2-butanone (CAS: 57000-78-9), it is important to wear appropriate personal protective equipment (PPE), including gloves and safety goggles. The compound should be stored in a cool, dry place away from direct sunlight and heat sources. Spills should be cleaned up using appropriate absorbent materials and the area should be well-ventilated. Always refer to the Safety Data Sheet (SDS) for detailed instructions 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

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