2-Chloro-2-oxoethyl acetate

Basic Information

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CAS Number

13831-31-7

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

160°C

Water Solubility

Reacts with water violently.

Refractive Index

n20/D 1.428(lit.)

SMILES

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CC(=O)OCC(=O)Cl

InChI

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

InChIKey

HZDNNJABYXNPPV-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

Moisture Sensitive

Synonyms & References

English

Acetoxy acetyl chloride
acetyloxyacetyl chloride
Acetyl chloride, 2-(acetyloxy)-
UNII-Z4S19Y2F8S
F0001-0475
Acetoxyacetylchloride
(Chlorocarbonyl)methyl acetate
GLYCOLOYL CHLORIDE, ACETATE
SCHEMBL5288
BB 0261504
(acetyloxy)acetyl chloride
(2-chloranyl-2-oxidanylidene-ethyl) ethanoate
2-Acetoxyacetyl chloride
NS00024478
13831-31-7
acetic acid (2-chloro-2-oxoethyl) ester
AKOS000121009
ACETOXYACETYL CHLORIDE
EINECS 237-542-4
DTXSID20160579
Chloro-2-oxoethyl acetate
2-Chloro-2-oxoethyl acetate;2-Acetoxyacetyl chloride;Acetoxyacetylchloride
(2-chloro-2-oxo-ethyl)acetate
Z4S19Y2F8S
(2-chloro-2-oxoethyl) acetate
EN300-21419
J-007117
AMY39424
acetic acid chlorocarbonyl-methyl ester
HZDNNJABYXNPPV-UHFFFAOYSA-N
CS-0017872

MDL Number

MFCD00011535

Customs Code

2915390090

FAQ

What is 2-Chloro-2-oxoethyl acetate (CAS: 13831-31-7)?

2-Chloro-2-oxoethyl acetate, with CAS number 13831-31-7, is an organic compound that contains a chloro group and an acetyl ester functional group. It is a colorless liquid with moderate solubility in water and is commonly used as an intermediate in chemical synthesis. Its molecular formula is C5H8ClO2, and it exhibits typical ester properties such as reactivity and volatility.

What are the main uses of 2-Chloro-2-oxoethyl acetate (CAS: 13831-31-7)?

2-Chloro-2-oxoethyl acetate is primarily used in the pharmaceutical industry as a building block for drug synthesis. It also finds applications in organic chemistry research, and in industrial processes for the production of various chemical derivatives. Additionally, it is used in the manufacture of certain pesticides and as a solvent in specific chemical reactions.

Is 2-Chloro-2-oxoethyl acetate (CAS: 13831-31-7) safe?

2-Chloro-2-oxoethyl acetate is generally considered safe when handled properly, but it should be treated with caution due to its potential to cause irritation. Safety data sheets recommend using appropriate personal protective equipment (PPE) such as gloves and goggles. It is important to follow safety standards and ensure proper ventilation to minimize exposure risks.

How should 2-Chloro-2-oxoethyl acetate (CAS: 13831-31-7) be stored?

2-Chloro-2-oxoethyl acetate should be stored in a cool, dry, and well-ventilated area, away from direct light. It is best kept in sealed, airtight containers made of materials compatible with organic solvents, such as glass or HDPE. Maintaining a temperature below 25°C and avoiding high humidity ensures its stability and prolongs shelf life.