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

Basic Information

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CAS Number

57000-78-9

Molecular Formula

C12H14Cl2O2

Molecular Weight

261.15 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Basic Chemical Raw Materials Organic Chemicals Ethers

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

SMILES

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CC(C)(C)C(=O)C(OC1=CC=C(C=C1)Cl)Cl

InChI

InChI=1S/C12H14Cl2O2/c1-12(2,3)10(15)11(14)16-9-6-4-8(13)5-7-9/h4-7,11H,1-3H3

InChIKey

SJEOCSMLOPQAFS-UHFFFAOYSA-N

LogP

3.898900000000003

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

240

Synonyms & References

English

SJEOCSMLOPQAFS-UHFFFAOYSA-N
1-(4-Chlorophenoxy)-3,3-dimethyl-1-chloro-2-butanone
CHLOROETHERKETONE
1-Chloro-1-(4-chlorophenoxy)-3,3-dimethyl-2-butanone
SCHEMBL10460335
FT-0707037
A831274
1-(4-chlorophenoxy)-1-chloro-3,3-dimethyl-butan-2-one
AC-12801
AKOS015890029
DTXSID90886214
2-Butanone, 1-chloro-1-(4-chlorophenoxy)-3,3-dimethyl-
4-ethyl-3-methyl-quinoline; picric acid
1-chloro-1-(4-chlorophenoxy)-3,3-dimethylbutan-2-one
57000-78-9
Chloroetherketone
Chloretherketone
1-(4-chlorophenoxy)-3,3-dimethyl-1-chloro-2-butane-one
1-(4-Chlorophenoxy)-1-chloro-3,3-dimethyl-2-butanone
1-(4-CHLOROPHENOXY)-3,3-DIMETHYL-1-CHLORO-2-BUTANONE

MDL Number

MFCD03411890

FAQ

What are the physical and chemical properties of 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: 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.

How is 1-Chloro-1-(4-chlorophenoxy)-3,3-dimethyl-2-butanone (CAS: 57000-78-9) typically synthesized?

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.

What industries use 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: 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.

What precautions should be taken when handling 1-Chloro-1-(4-chlorophenoxy)-3,3-dimethyl-2-butanone (CAS: 57000-78-9)?

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.