Methyl chloro(oxo)acetate

Basic Information

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CAS Number

5781-53-3

Molecular Formula

C3H3ClO3

Molecular Weight

122.51 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

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Boiling Point

125°C

Water Solubility

Miscible with water.

Refractive Index

n20/D 1.419(lit.)

SMILES

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COC(=O)C(=O)Cl

InChI

InChI=1S/C3H3ClO3/c1-7-3(6)2(4)5/h1H3

InChIKey

ZXUQEPZWVQIOJE-UHFFFAOYSA-N

LogP

-0.07520000000000016

Topological Polar Surface Area

43.370000000000005 Å²

Hydrogen Bond Donor/Acceptor

0 / 3

Complexity

98.4

Safety Information

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GHS Hazard Pictograms

H226

H314

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

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

Hazard Class

Class 8 Class 8

Sensitiveness

Moisture Sensitive

Synonyms & References

English

UNII-42Z6XG83RQ
methylchlorooxoacetate
Methyl Chloro-oxo-acetate
Acetic acid, 2-chloro-2-oxo-, methyl ester
C3H3ClO3
F0001-1507
methyl chloro-oxoacetate
methoxyglyoxyloyl chloride
Methyl chlorooxoacetate, 96%
DTXSID9064003
methyl 2-chloro-2-oxoacetate
Mono methyl oxalyl chloride
EN300-20687
Methyloxalylchloride
5781-53-3
methyl cloro(oxo)acetate
methyl chloro(oxo)acetate
chloro-oxo-acetic acid methyl ester
EINECS 227-307-4
methoxalyl chloride
Methyl chlorooxoacetate
chloro-oxalic acid methyl ester
AKOS009031376
Methyl oxalyl chloride
methyl2-chloro-2-oxoacetate
chloro-oxoacetic acid methyl ester
Methyl (Chlorocarbonyl)formate
SCHEMBL51376
NS00033795
ClCOCO2Me
Methyl chloroglyoxylate

MDL Number

MFCD00000705

Customs Code

2918300090

FAQ

What are the physical and chemical properties of Methyl chloro(oxo)acetate (CAS: 5781-53-3)?

Methyl chloro(oxo)acetate (CAS: 5781-53-3) is a colorless to slightly yellow liquid with a molecular weight of approximately 117.5 g/mol. It has a high solubility in organic solvents but is only slightly soluble in water. This compound is known for its reactivity, particularly in nucleophilic substitution reactions. It is also a potent acid and can react with basic compounds.

How is Methyl chloro(oxo)acetate (CAS: 5781-53-3) typically synthesized?

Methyl chloro(oxo)acetate (CAS: 5781-53-3) is typically synthesized through the reaction of methyl acetate with phosphorus oxychloride under anhydrous conditions. This process involves the use of a Lewis acid catalyst to facilitate the substitution reaction, yielding a high yield and selectivity for the desired product.

What industries use Methyl chloro(oxo)acetate (CAS: 5781-53-3)?

Methyl chloro(oxo)acetate (CAS: 5781-53-3) is primarily used in the pharmaceutical industry for the synthesis of certain intermediates and in the production of other chemicals. It is also used in the polymer industry for the modification of polymers and in the sensor industry for the development of chemical sensors.

What precautions should be taken when handling Methyl chloro(oxo)acetate (CAS: 5781-53-3)?

When handling Methyl chloro(oxo)acetate (CAS: 5781-53-3), it is crucial to wear appropriate personal protective equipment (PPE), including gloves, goggles, and a lab coat. Ensure the use of a fume hood to minimize exposure. Handle the compound with care as it is corrosive and can cause skin and eye irritation. In case of a spill, immediately contain the spill and clean up using appropriate absorbents as per the Safety Data Sheet (SDS).