4-Chloro-2-butanone

Basic Information

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CAS Number

6322-49-2

Molecular Formula

C4H7ClO

Molecular Weight

106.55 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ketones

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

146 ºC

Density

1.033

Flash Point

45 ºC

Refractive Index

1.4299-1.4334

SMILES

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CC(=O)CCCl

InChI

InChI=1S/C4H7ClO/c1-4(6)2-3-5/h2-3H2,1H3

InChIKey

MAGOYBJJLVSJIC-UHFFFAOYSA-N

LogP

1.2043000000000001

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

51.5

Synonyms & References

English

4-Chlorobutan-2-one
2-Butanone, 4-chloro-
4-CHLORO-2-BUTANONE
4-CHLORO-2-BUTANONE, PRACT.
1-chloro-3-butanone
1-chlorobutan-3-one
2-Butanone,4-chloro
2-Chloroethyl methyl ketone
3-oxobutyl chloride
4-chloro-butan-2-one
4-chlorobutane-2-one
4-chlorobutanone
MAGOYBJJLVSJIC-UHFFFAOYSA-N
chloromethyl acetone
NSC32104
methyl beta-chloroethyl ketone
BCP21752
SBB007824
FCH833621
SY066120
AB0097664
DB-0

MDL Number

MFCD00037116

FAQ

What are the physical and chemical properties of 4-Chloro-2-butanone (CAS: 6322-49-2)?

4-Chloro-2-butanone is a colorless or slightly yellow liquid with a pungent odor. It has a molecular weight of approximately 123.57 g/mol and a boiling point of 106.5°C. The compound is slightly soluble in water but miscible with most organic solvents. It is moderately reactive with bases and can undergo nucleophilic substitution reactions.

How is 4-Chloro-2-butanone (CAS: 6322-49-2) typically synthesized?

4-Chloro-2-butanone can be synthesized via the acetylation of 2-chlorobutane followed by dehydration. Alternatively, it can be prepared by the chlorination of 2-butanone. Commonly, the reaction involves the use of phthalic anhydride as a catalyst and provides a yield of around 85-90%.

What industries use 4-Chloro-2-butanone (CAS: 6322-49-2)?

4-Chloro-2-butanone is used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also utilized in the polymer industry for the production of plasticizers and in the chemical sensors industry for detecting certain gases. Additionally, it plays a role in the semiconductor industry as a cleaning agent.

What precautions should be taken when handling 4-Chloro-2-butanone (CAS: 6322-49-2)?

4-Chloro-2-butanone should be handled in a well-ventilated area and with proper Personal Protective Equipment (PPE) such as gloves and safety goggles. It is important to use a fume hood during handling to avoid inhalation. In case of a spill, it should be cleaned up using appropriate procedures, and the site should be properly ventilated. Always refer to the Safety Data Sheet (SDS) for detailed safety information.