Methyl 3-chloro-3-oxopropanoate

Basic Information

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CAS Number

37517-81-0

Molecular Formula

C4H5ClO3

Molecular Weight

136.53 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

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

57-59 °C/12 mmHg

Water Solubility

Reacts with water.

Refractive Index

n20/D 1.432(lit.)<br />n20/D 1.432

SMILES

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COC(=O)CC(=O)Cl

InChI

InChI=1S/C4H5ClO3/c1-8-4(7)2-3(5)6/h2H2,1H3

InChIKey

UTBCRHAMJFMIIR-UHFFFAOYSA-N

LogP

0.31489999999999996

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

110

Safety Information

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GHS Hazard Pictograms

H314

H335

Hazard Statement

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

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Hazard Class

Class 8 Class 8

Sensitiveness

Lachrymatory

Synonyms & References

English

MFCD00013657
EN300-20669
UTBCRHAMJFMIIR-UHFFFAOYSA-N
methyl chlorocarbonylacetate
Methyl 3-chloro-3-oxopropionate
BCP22276
Q-101210
AKOS000121252
AM90205
Methyl malonyl chloride
UAT3SX9MTD
chlorocarbonylacetic acid methyl ester
methyl 3-chloro-3-oxopropanoate
UNII-UAT3SX9MTD
Methyl-3-chloro-3-oxo-propionate
METHYL-3-CHLORO-3-OXOPROPIONATE
M2315
AI3-51039
NS00030207
D78113
EINECS 253-540-6
chlorocarbonyl-acetic acid methyl ester
chlorocarbonyl-acetic methyl ester
methyl3-chloro-3-oxopropanoate
Propanoic acid, 3-chloro-2-oxo-, methyl ester
37517-81-0
Methyl (Chloroformyl)acetate
Methyl 3-chloro-3-oxopropionate, 97%
methyl 3-chloro-3-oxo-propanoate
SCHEMBL31468
Methyl chloroformylacetate

MDL Number

MFCD00013657

Customs Code

2918300090

FAQ

What are the physical and chemical properties of Methyl 3-chloro-3-oxopropanoate (CAS: 37517-81-0)?

Methyl 3-chloro-3-oxopropanoate (CAS: 37517-81-0) is a white crystalline solid with a molecular weight of approximately 137.56 g/mol. It has a high melting point around 138°C and a low solubility in water. It is slightly soluble in ethanol and acetone. Chemically, it is highly reactive, particularly towards nucleophiles and reducing agents.

How is Methyl 3-chloro-3-oxopropanoate (CAS: 37517-81-0) typically synthesized?

Methyl 3-chloro-3-oxopropanoate (CAS: 37517-81-0) can be synthesized via the chlorination of methyl acetate using thionyl chloride in the presence of a drying agent. The reaction is typically carried out under anhydrous conditions to ensure high yield and selectivity.

What industries use Methyl 3-chloro-3-oxopropanoate (CAS: 37517-81-0)?

Methyl 3-chloro-3-oxopropanoate (CAS: 37517-81-0) is used in the pharmaceutical industry for the synthesis of various drug intermediates. It is also utilized in the polymer industry for modifying polymer properties and in the semiconductor industry for the production of photoresists. Additionally, it serves as a key component in the development of chemical sensors.

What precautions should be taken when handling Methyl 3-chloro-3-oxopropanoate (CAS: 37517-81-0)?

When handling Methyl 3-chloro-3-oxopropanoate (CAS: 37517-81-0), it is essential to wear appropriate personal protective equipment (PPE) such as gloves, safety goggles, and a lab coat. Handle in a well-ventilated environment or a fume hood. Store in a cool, dry place away from heat sources. In case of spill, neutralize with an appropriate solvent and dispose of according to local regulations. Always refer to the safety data sheet (SDS) for detailed safety information.