3-Chloro-2-oxopropyl acetate

Basic Information

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CAS Number

40235-68-5

Molecular Formula

C5H7ClO3

Molecular Weight

150.56 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 Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

112-114 ºC (16 Torr)

Flash Point

86.4±20.8 ºC,

Refractive Index

1.4510-1.4540

SMILES

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CC(=O)OCC(=O)CCl

InChI

InChI=1S/C5H7ClO3/c1-4(7)9-3-5(8)2-6/h2-3H2,1H3

InChIKey

LCMPIWIWBGHBOY-UHFFFAOYSA-N

LogP

0.35740000000000005

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

121

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H314 Causes severe skin burns and eye damage
Skin corrosion/irritation

H341 Suspected of causing genetic defects
Germ cell mutagenicity

Hazard Class

Class 8 Class 8

Synonyms & References

English

1-chloro-3-acetoxypropanone
FS-4491
CHEMBL3276494
3-Chloro-2-oxopropyl acetate, AldrichCPR
FT-0692106
D88398
1-Acetoxy-3-acetenyl Chloride
AKOS006228400
1-chloro-3-acetoxyacetone
1-02-00-00072 (Beilstein Handbook Reference)
CS-W018134
A1232
Chlorohydroxyacetone acetate
3-chloro-2-oxopropylacetate
40235-68-5
1-Acetoxy-3-chloroacetone
3-chloro-2-oxopropyl acetate
DTXSID1068221
1-Acetoxy-3-chloropropan-2-one
SCHEMBL197897
MFCD00191365
ACETIC ACID, CHLOROACETYLMETHYL ESTER
BRN 1759066
acetic acid 3-chloro-2-oxo-propyl ester
2-Propanone, 1-(acetyloxy)-3-chloro-
AMY14363
A873411
1-Acetyloxy-3-chloroacetone
1-Acetoxy-3-chloro-2-propanone
1-Chloro-3-acetoxy-2-propanone
(3-chloro-2-oxopropyl) acetate

MDL Number

MFCD00191365

Customs Code

2915390090

FAQ

What are the physical and chemical properties of 3-Chloro-2-oxopropyl acetate (CAS: 40235-68-5)?

3-Chloro-2-oxopropyl acetate (CAS: 40235-68-5) is a colorless liquid with a strong pungent odor. It has a molecular weight of 168.01 g/mol and a boiling point of 98°C. It is slightly soluble in water but miscible with most organic solvents. This compound is highly reactive and susceptible to hydrolysis under basic conditions.

How is 3-Chloro-2-oxopropyl acetate (CAS: 40235-68-5) typically synthesized?

3-Chloro-2-oxopropyl acetate is typically synthesized through the reaction of 3-chloropropionic acid with acetic anhydride. The reaction is catalyzed by a strong acid like sulfuric acid, and the yield is around 85-90%. The selectivity is excellent, providing a high purity product.

What industries use 3-Chloro-2-oxopropyl acetate (CAS: 40235-68-5)?

3-Chloro-2-oxopropyl acetate (CAS: 40235-68-5) is primarily used in the pharmaceutical industry as an intermediate for the synthesis of various drugs. It is also used in the polymer industry as a monomer for the production of certain types of plastics and resins. Additionally, it has applications in the fragrance and flavor industry.

What precautions should be taken when handling 3-Chloro-2-oxopropyl acetate (CAS: 40235-68-5)?

When handling 3-Chloro-2-oxopropyl acetate (CAS: 40235-68-5), ensure proper Personal Protective Equipment (PPE) including gloves, goggles, and a lab coat. Handle the compound in a well-ventilated area or a fume hood. Store it in a cool, dry place away from heat and ignition sources. In case of spill, use appropriate absorbents and dispose of waste according to local regulations. Refer to the Material Safety Data Sheet (MSDS) for more detailed information.