Ethyl 4-chloro-4-oxobutanoate

Basic Information

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CAS Number

14794-31-1

Molecular Formula

C6H9ClO3

Molecular Weight

164.59 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Boiling Point

144°C/90mmHg

Refractive Index

n20/D 1.437(lit.)

SMILES

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CCOC(=O)CCC(=O)Cl

InChI

InChI=1S/C6H9ClO3/c1-2-10-6(9)4-3-5(7)8/h2-4H2,1H3

InChIKey

IXZFDJXHLQQSGQ-UHFFFAOYSA-N

LogP

1.0951

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

133

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

H290 May be corrosive to metals
Corrosive to Metals

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

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

CFH5LG292R
.beta.-Ethoxycarbonylpropionyl chloride
3-chlorocarbonyl-propionic acid ethyl ester
ethoxycarbonylpropionyl chloride
FT-0625793
ethyl 3-(chlorocarbonyl)propanoate
ethyl 3-chlorocarbonylpropanoate
Ethyl 4-chloro-4-oxobutyrate, 95%
3-(ethoxycarbonyl)propionyl chloride
14794-31-1
Ethyl 4-chloro-4-oxobutyrate
3-carbethoxypropanoyl chloride
BETA CARBETHOXY PROPIONYL CHLORIDE
AKOS000121214
BCP13635
4-Chloro-4-oxo-butanoic acid ethyl ester
3-Carboethoxypropionyl chloride
beta-carbethoxypropionylchloride
EINECS 238-855-9
F2190-0032
NS00024847
FT-0626361
beta-carboethoxypropionyl chloride
E0368
3-carboethoxy-propionyl chloride
AS-12089
Ethyl succinoyl chloride
SCHEMBL132199
ethyl4-chloro-4-oxo-butanoate
DTXSID4065818
MFCD00000751

MDL Number

MFCD00000751

Customs Code

2917190090

FAQ

What is Ethyl 4-chloro-4-oxobutanoate (CAS: 14794-31-1)?

Ethyl 4-chloro-4-oxobutanoate (CAS: 14794-31-1) is a chlorinated ester with the chemical formula C6H10ClO3. It is a white crystalline solid that is soluble in organic solvents. This compound is characterized by its stability under normal conditions and its role as a key intermediate in organic synthesis, particularly in the development of pharmaceuticals and agrochemicals.

What are the main uses of Ethyl 4-chloro-4-oxobutanoate (CAS: 14794-31-1)?

Ethyl 4-chloro-4-oxobutanoate (CAS: 14794-31-1) is widely used in the pharmaceutical industry for synthesizing active drug compounds. It also serves as an industrial reagent for producing specialty chemicals, including pesticides and dyes. In research settings, it is employed as a building block for organic reactions and is occasionally used in food flavoring applications, though its primary focus remains on non-food sectors.

Is Ethyl 4-chloro-4-oxobutanoate (CAS: 14794-31-1) safe?

Ethyl 4-chloro-4-oxobutanoate (CAS: 14794-31-1) is generally considered safe when handled properly in controlled environments. However, it may cause skin or eye irritation and should be treated as a hazardous substance. Safety standards recommend using appropriate protective equipment, such as gloves and goggles, and ensuring proper ventilation to minimize exposure risks.

How should Ethyl 4-chloro-4-oxobutanoate (CAS: 14794-31-1) be stored?

Ethyl 4-chloro-4-oxobutanoate (CAS: 14794-31-1) should be stored in a cool, dry place, away from light and moisture. Keep it in a sealed, airtight container made of glass or inert material to maintain stability. Storage conditions should also ensure proper ventilation to prevent vapor accumulation, and it should be kept out of reach of children and incompatible materials.