3-(Methylsulfanyl)propanoyl chloride

Basic Information

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CAS Number

7031-23-4

Molecular Formula

C4H7ClOS

Molecular Weight

138.62 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Water Treatment Chemicals Coagulants and Flocculants Inorganic Coagulants

Basic Physical Properties

Boiling Point

96°C/37mmHg

Density

1,2 g/cm3

Flash Point

67.298°C

Refractive Index

1.4930 to 1.4980

SMILES

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CSCCC(=O)Cl

InChI

InChI=1S/C4H7ClOS/c1-7-3-2-4(5)6/h2-3H2,1H3

InChIKey

NRHMXMBVLXSSAX-UHFFFAOYSA-N

LogP

1.5049

Topological Polar Surface Area

17.07 Å²

Hydrogen Bond Donor/Acceptor

0 / 1

Complexity

64.7

Safety Information

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Hazard Statement

H227 Combustible liquid
Flammable liquids

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

Hazard Class

Class 8 Class 8

Synonyms & References

English

3-(methylsulfanyl)propanoyl chloride
STR05144
NRHMXMBVLXSSAX-UHFFFAOYSA-N
3-(methylthio)-propanoyl chloride
Propanoyl chloride, 3-(methylthio)-
3-(methylthio)propanoyl chloride
3-Methylthiopropionyl Chloride
FT-0616193
methylsulfanyl-propionyl chloride
7031-23-4
3-methylsulfanylpropanoyl chloride
3-(Methylsulfanyl)propanoyl chloride, AldrichCPR
CHEMBL326737
DTXSID40513028
3-(Methylthio)propionyl Chloride
AKOS008901444
3-(Methylmercapto)propionyl Chloride
3-methylmercaptopropionyl chloride
D91387
M0806
3-(methylsulphenyl)propanoyl chloride
EN300-7190144
3-Methylsulfanyl-propionyl chloride
MFCD00059482
SCHEMBL289643
3-METHYLTHIOPROPIONYL CHLORIDE
3-METHYLMERCAPTOPROPIONYL CHLORIDE
Methylthiopropionylchloride
Propionylchloride, 3-(methylthio)- (6CI,7CI,8CI)
3-(Methylsulfanyl)propionyl chloride
3-(Methylthio)propanoyl chloride

MDL Number

MFCD00059482

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 3-(Methylsulfanyl)propanoyl chloride (CAS: 7031-23-4)?

3-(Methylsulfanyl)propanoyl chloride is a colorless to white crystalline solid with a molecular weight of approximately 158.17 g/mol. It has a melting point of 64-66°C and is soluble in organic solvents such as dichloromethane and methanol. It is moderately reactive, especially towards nucleophiles and bases, making it useful in various synthetic applications.

How is 3-(Methylsulfanyl)propanoyl chloride (CAS: 7031-23-4) typically synthesized?

3-(Methylsulfanyl)propanoyl chloride is typically synthesized by the chlorination of 3-(methylthio)propanoic acid. This is usually achieved using thionyl chloride in a non-nucleophilic solvent like toluene at room temperature. The reaction is known for its high yield and good selectivity.

What industries use 3-(Methylsulfanyl)propanoyl chloride (CAS: 7031-23-4)?

3-(Methylsulfanyl)propanoyl chloride finds applications in pharmaceuticals, where it serves as an intermediate for drug synthesis. It is also used in the production of certain polymers and as a reagent in analytical chemistry, particularly in the development of sensors and semiconductors.

What precautions should be taken when handling 3-(Methylsulfanyl)propanoyl chloride (CAS: 7031-23-4)?

When handling 3-(Methylsulfanyl)propanoyl chloride, it is important to wear appropriate personal protective equipment (PPE) including gloves, goggles, and a lab coat. This compound should be stored in a sealed container and handled in a well-ventilated area or a fume hood to minimize exposure. In case of a spill, immediately clean up using appropriate absorbent materials and consult the Safety Data Sheet (SDS) for further guidance.