Diethyl chloromalonate

Basic Information

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CAS Number

14064-10-9

Molecular Formula

C7H11ClO4

Molecular Weight

194.61 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

279.11°C (rough estimate)

Refractive Index

n20/D 1.432(lit.)

SMILES

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

InChI

InChI=1S/C7H11ClO4/c1-3-11-6(9)5(8)7(10)12-4-2/h5H,3-4H2,1-2H3

InChIKey

WLWCQKMQYZFTDR-UHFFFAOYSA-N

LogP

0.7199999999999999

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

151

Safety Information

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GHS Hazard Pictograms

H314

H335

H400

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

H400 Very toxic to aquatic life
Hazardous to the aquatic environment, acute hazard

Hazard Class

Class 8 Class 8

Synonyms & References

English

Malonic acid, chloro-, diethyl ester
MFCD00009140
EN300-91664
Q27271193
14064-10-9
Diethyl chloromalonate, 95%
Ethylmonochloromalonate
AKOS015843271
Bosentan impurity 16
Ethyl chloromalonate
NSC227952
8Y5J45M964
.ALPHA.-CHLORODIETHYL MALONATE
Diethyl chloromalonate
F8889-0706
2-Chloro-malonic acid 1,3-diethyl ester
Diethyl 2-chloromalonate
Propanedioic acid, chloro-, diethyl ester
NSC 227952
EC 237-913-0
WLWCQKMQYZFTDR-UHFFFAOYSA-
UNII-8Y5J45M964
diethyl 2-chloropropanedioate
DTXSID2022258
Propanedioic acid, 2-chloro-, 1,3-diethyl ester
Diethyl 2-chloromalonate #
FT-0637003
AS-40995
Q-200972
chloromalonic acid diethyl ester
C7H11ClO4

MDL Number

MFCD00009140

Customs Code

29171990

FAQ

What is Diethyl chloromalonate (CAS: 14064-10-9)?

Diethyl chloromalonate is an organic compound with the chemical formula C6H10ClO4. It has a chloromalonate functional group and is used in various industrial applications, including as a precursor in organic synthesis and in the production of fragrances and flavors.

What are the main uses of Diethyl chloromalonate (CAS: 14064-10-9)?

Diethyl chloromalonate is primarily used as a precursor in the synthesis of other organic compounds. It is also utilized in the fragrance and flavor industry, and in some pharmaceutical applications for intermediate steps.

Is Diethyl chloromalonate (CAS: 14064-10-9) safe?

Diethyl chloromalonate is considered safe when handled properly. It is not highly toxic but should be used with caution. It is important to adhere to safety standards, including proper ventilation and skin and eye protection during handling. Safety data sheets (SDS) should be consulted for detailed information.

How should Diethyl chloromalonate (CAS: 14064-10-9) be stored?

Diethyl chloromalonate should be stored in a cool, dry place away from direct sunlight and heat sources. It should be kept in a tightly sealed container to prevent moisture absorption and contamination. The storage temperature should be maintained between 15°C and 25°C, and the relative humidity should be kept below 50%.