Dimethyl chloromalonate

Basic Information

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CAS Number

28868-76-0

Molecular Formula

C5H7ClO4

Molecular Weight

166.56 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

208°C

Refractive Index

n20/D 1.437(lit.)

SMILES

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COC(=O)C(C(=O)OC)Cl

InChI

InChI=1S/C5H7ClO4/c1-9-4(7)3(6)5(8)10-2/h3H,1-2H3

InChIKey

LNBQBURECUEBKZ-UHFFFAOYSA-N

LogP

-0.06020000000000025

Topological Polar Surface Area

52.60000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 4

Complexity

129

Safety Information

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GHS Hazard Pictograms

H314

Hazard Statement

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

Hazard Class

Class 8 Class 8

Synonyms & References

English

2-Chloro-malonic acid dimethyl ester
QH3S4XL5PI
Dimethyl2-chloromalonate
CHLOROPROPANEDIOIC ACID DIMETHYL ESTER
dimethyl 2-chloranylpropanedioate
Chloromalonic acid dimethyl ester
CAS-28868-76-0
DIMETHYL .ALPHA.-CHLOROMALONATE
DS-2785
28868-76-0
NCGC00249607-02
dimethylchloromalonate
D5467
J-017304
MFCD00042837
Tox21_113538
CS-W010804
CHEMBL3185914
Propanedioic acid, chloro-, dimethyl ester
EN300-86385
DTXSID6049018
Q27287259
C5H7ClO4
2-chloropropanedioic acid dimethyl ester
Dimethyl chloromalonate
NS00028565
A819643
SR-01000944774
Propanedioic acid, 2-chloro-, 1,3-dimethyl ester
FT-0625073
dimethyl 2-chloropropanedioate

MDL Number

MFCD00042837

FAQ

What is Dimethyl chloromalonate (CAS: 28868-76-0)?

Dimethyl chloromalonate is an organic compound with the chemical formula (CH3)2CHClCOOCH3. It is a colorless, volatile liquid with a distinctive odor. This compound is used in various applications including pharmaceuticals, flavor and fragrance industries, and as a reagent in research.

What are the main uses of Dimethyl chloromalonate (CAS: 28868-76-0)?

Dimethyl chloromalonate is primarily used in the pharmaceutical industry as a precursor for synthesizing other compounds. It is also utilized in the flavor and fragrance industry for the production of specific odors and flavors. Additionally, it serves as a reagent in chemical research due to its unique chemical properties.

Is Dimethyl chloromalonate (CAS: 28868-76-0) safe?

Dimethyl chloromalonate is classified as a hazardous chemical and should be handled with caution. It is important to follow all safety guidelines, including proper ventilation, use of personal protective equipment (PPE), and storage in a cool, dry place away from light and heat sources. Immediate medical attention should be sought if exposure occurs.

How should Dimethyl chloromalonate (CAS: 28868-76-0) be stored?

Dimethyl chloromalonate should be stored in a cool, dry place, away from direct sunlight and heat sources to prevent degradation. It should be kept in a tightly sealed container to maintain its quality and prevent exposure to air and moisture. Adequate ventilation should be ensured during handling and storage to minimize the risk of inhalation.