Methyl 4-chlorobutanoate

Basic Information

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CAS Number

3153-37-5

Molecular Formula

C5H9ClO2

Molecular Weight

136.58 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

174°C

Water Solubility

Slightly soluble in water.

Refractive Index

n20/D 1.433(lit.)

SMILES

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COC(=O)CCCCl

InChI

InChI=1S/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H3

InChIKey

ZZUYIRISBMWFMV-UHFFFAOYSA-N

LogP

1.1784

Topological Polar Surface Area

26.3 Å²

Hydrogen Bond Donor/Acceptor

0 / 2

Complexity

72.8

Safety Information

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GHS Hazard Pictograms

H226

Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

Hazard Class

Class 3 Class 3

Synonyms & References

English

C0823
SCHEMBL83390
EN300-39776
GAMMA-CHLORO-N-BUTYRIC ACID METHYL ESTER
Butyric acid, 4-chloro-, methyl ester
Q63396643
methyl 4-chloro-butanoate
Methyl omega-chlorobutyrate
.gamma.-Chlorobutyric acid methyl ester
Methyl gamma-chlorobutyrate
EINECS 221-592-9
AKOS005287838
DTXSID7062873
FT-0618202
4-Chlorbutansauremethylester
4-Chlorobutanoic acid methyl ester
NSC-66271
4-Chlorobutyric acid methyl ester
3153-37-5
Methyl .gamma.-chlorobutyrate
VS-02970
ClCH2(CH2)2C(O)OCH3
4-Chloro Butyric Acid Methyl Ester
Butanoic acid, 4-chloro-, methyl ester
MFCD00001003
Methyl .omega.-chlorobutyrate
Methyl 4-chlorobutyrate
NSC 66271
InChI=1/C5H9ClO2/c1-8-5(7)3-2-4-6/h2-4H2,1H
Methyl 4-chlorobutanoate
methyl4-chlorobutyrate

MDL Number

MFCD00001003

Customs Code

29159080

FAQ

What are the physical and chemical properties of Methyl 4-chlorobutanoate (CAS: 3153-37-5)?

Methyl 4-chlorobutanoate (CAS: 3153-37-5) is a colorless or light yellow liquid with a molecular weight of 140.57 g/mol. It has a boiling point of 150.2°C and a melting point of -15°C. The compound is soluble in ethanol, acetone, and chloroform. It is slightly reactive with strong bases and can undergo hydrolysis under basic conditions.

How is Methyl 4-chlorobutanoate (CAS: 3153-37-5) typically synthesized?

Methyl 4-chlorobutanoate (CAS: 3153-37-5) is typically synthesized by the reaction of 4-chlorobutanoic acid with methyl alcohol in the presence of a catalytic amount of sulfuric acid or hydrochloric acid. The yield is around 90%, and the reaction is highly selective.

What industries use Methyl 4-chlorobutanoate (CAS: 3153-37-5)?

Methyl 4-chlorobutanoate (CAS: 3153-37-5) is used in the pharmaceutical industry for the synthesis of certain drugs, and in the agrochemical industry as a precursor for pesticides. It is also utilized in the polymer industry for the production of special polymers with enhanced properties. Additionally, it finds use in the food sector as a flavoring agent.

What precautions should be taken when handling Methyl 4-chlorobutanoate (CAS: 3153-37-5)?

When handling Methyl 4-chlorobutanoate (CAS: 3153-37-5), it is important to use appropriate personal protective equipment (PPE) such as gloves and safety glasses. Work should be conducted in a well-ventilated area or a fume hood to prevent inhalation. Spills should be cleaned up with appropriate absorbents, and the material safety data sheet (MSDS) should be consulted for detailed safety information.