ethyl 2-chloro-3-oxobutanoate

Basic Information

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CAS Number

609-15-4

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 Ketones

Basic Chemical Raw Materials Organic Chemicals Esters

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Physical Properties

Melting Point

-80 ºC

Boiling Point

77°C/6.8mmHg

Density

1.19 g/mL at 25 °C

Water Solubility

17 g/L (20 ºC)

Refractive Index

n20/D 1.441(lit.)

Vapor Pressure

0.1±0.4 mmHg at 25°C

SMILES

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CCOC(=O)C(C(=O)C)Cl

InChI

InChI=1S/C6H9ClO3/c1-3-10-6(9)5(7)4(2)8/h5H,3H2,1-2H3

InChIKey

RDULEYWUGKOCMR-UHFFFAOYSA-N

LogP

0.7458999999999999

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

144

Safety Information

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GHS Hazard Pictograms

H226

H302

H314

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

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

Hazard Class

Class 8 (3) Class 8 (3)

Sensitiveness

Sensitive to air

Synonyms & References

English

NSC-78426
Ethyl alpha-chloroacetoacetate
Ethyl 2-chloroacetoacetate
F2190-0285
AKOS016039405
Ethyl 2-chloroacetoacetate, produced by Wacker Chemie AG, Burghausen, Germany, >=96% (GC)
FT-0611898
Ethyl 2-chloro-3-oxo-butyrate
2-Chloro-3-oxobutanoic acid, ethyl ester
CHEMBL3186400
Ethyl-alpha-Chloroacetoacetate
ethyl-2-chloro-3oxobutanoate
Acetoacetic acid, 2-chloro-, ethyl ester
2-Chloro-3-oxobutyric acid ethyl ester
CCRIS 6889
EINECS 210-180-4
2-Cl-ACE
alphachloroacetoacetic ethyl ester
AKOS000269010
ethyl-2-chloroacetoacetate
SCHEMBL54869
D77847
ethyl 2-choroacetoacetate
ethyl 2-chloro-acetoacetate
A9GFN94N9A
Ethyl2-chloroacetoacetate
UNII-A9GFN94N9A
Ethyl 2-chloroaceto-acetate
2-Chloro Acetoacetic Acid Ethyl Ester
Ethyl 2-chloracetoacetate
A8472

MDL Number

MFCD00009141

Customs Code

29183000

FAQ

What is ethyl 2-chloro-3-oxobutanoate (CAS: 609-15-4)?

Ethyl 2-chloro-3-oxobutanoate (CAS: 609-15-4) is a chlorinated ester compound with the chemical formula C6H11ClO3. It is a colorless liquid characterized by its stability and reactivity in organic synthesis. The molecule contains a chloro group and an acetyl-like structure, making it a key intermediate in various chemical processes.

What are the main uses of ethyl 2-chloro-3-oxobutanoate (CAS: 609-15-4)?

Ethyl 2-chloro-3-oxobutanoate (CAS: 609-15-4) is primarily used in pharmaceutical research as a precursor for drug development. It also serves industrial applications in polymer synthesis and as a solvent. Additionally, it is employed in organic chemistry for functional group manipulations and in flavor/fragrance chemistry due to its ester functionality.

Is ethyl 2-chloro-3-oxobutanoate (CAS: 609-15-4) safe?

Ethyl 2-chloro-3-oxobutanoate (CAS: 609-15-4) requires careful handling due to its potential toxicity. Inhalation or skin contact may cause irritation, and it is classified as a hazardous substance. Safety standards recommend using appropriate PPE, ensuring proper ventilation, and avoiding ingestion. Always follow OSHA guidelines for chemical exposure.

How should ethyl 2-chloro-3-oxobutanoate (CAS: 609-15-4) be stored?

Ethyl 2-chloro-3-oxobutanoate (CAS: 609-15-4) should be stored in a cool, dry, and well-ventilated area, away from light. Keep it in a sealed, airtight container made of glass or HDPE to prevent moisture ingress. Ensure stability by maintaining controlled temperature and humidity conditions during storage.