1-Chloro-2-(methylsulfanyl)ethane

Basic Information

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CAS Number

542-81-4

Molecular Formula

C3H7ClS

Molecular Weight

110.61 g/mol

Chemical Classification

Water Treatment Chemicals Disinfectants Chlorine Compounds

Basic Physical Properties

Boiling Point

55-56 °C/30 mmHg

Refractive Index

n20/D 1.496(lit.)

SMILES

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CSCCCl

InChI

InChI=1S/C3H7ClS/c1-5-3-2-4/h2-3H2,1H3

InChIKey

MYFKLQFBFSHBPA-UHFFFAOYSA-N

LogP

1.5882

Topological Polar Surface Area

0.0 Å²

Hydrogen Bond Donor/Acceptor

0 / 0

Complexity

16.4

Safety Information

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Hazard Statement

H226 Flammable liquid and vapor
Flammable liquids

H302 Harmful if swallowed
Acute toxicity, oral

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

H350 May cause cancer
Carcinogenicity

Hazard Class

Class 3.2 Class 3.2

Synonyms & References

English

methylthioethylchloride
(2-Chloroethyl)(methyl)sulfane
1-CHLORO-2-(METHYLTHIO)ETHANE
FS-4217
NS00033023
A830079
422D246XB5
Ethane, 1-chloro-2-(methylthio)-
UNII-422D246XB5
(2-chloroethyl)methyl sulfide
1-chloro-2-methylmercapto-ethane
AMY15533
C3H7ClS
2-chlorethyl-methylsulfide
1-chloro-2-methylthioethane
NSC91724
MFCD00000978
FT-0652736
InChI=1/C3H7ClS/c1-5-3-2-4/h2-3H2,1H
NSC-91724
BB 0261792
2-Chloroethyl methyl sulfide, purum, >=97.0% (GC)
EN300-12529
beta-Chloroethyl methyl sulfide
1-Chloro-2-(methylsulfanyl)ethane
methylthioethyl chloride
CH3SCH2CH2Cl
2-chloroethyl-methylsulfide
4-chloro-2-thiabutane
2-chloroethylmethylsulfane
2-Chloroethyl methyl sulfide

MDL Number

MFCD00000978

Customs Code

2930909090

FAQ

What are the physical and chemical properties of 1-Chloro-2-(methylsulfanyl)ethane (CAS: 542-81-4)?

1-Chloro-2-(methylsulfanyl)ethane (CAS: 542-81-4) is a liquid with a high boiling point and low solubility in water. It has a molecular weight of approximately 129.6 g/mol. This compound is moderately reactive, especially towards nucleophiles and bases. It is used in organic synthesis and as a reagent in various chemical processes.

How is 1-Chloro-2-(methylsulfanyl)ethane (CAS: 542-81-4) typically synthesized?

1-Chloro-2-(methylsulfanyl)ethane (CAS: 542-81-4) is synthesized via the reaction of 2-(methylthio)ethanol with chlorine in the presence of a phase transfer catalyst. The yield is typically around 70-80%, with excellent selectivity towards the chloro derivative.

What industries use 1-Chloro-2-(methylsulfanyl)ethane (CAS: 542-81-4)?

1-Chloro-2-(methylsulfanyl)ethane (CAS: 542-81-4) is used in the pharmaceutical industry for the synthesis of various drug intermediates. It is also employed in polymer production and as a reagent in analytical chemistry for sensors and semiconductors.

What precautions should be taken when handling 1-Chloro-2-(methylsulfanyl)ethane (CAS: 542-81-4)?

When handling 1-Chloro-2-(methylsulfanyl)ethane (CAS: 542-81-4), proper personal protective equipment (PPE) including gloves, goggles, and a lab coat is essential. It should be handled in a well-ventilated area or fume hood. Spills should be cleaned up carefully, following safety protocols. Always refer to the Material Safety Data Sheet (MSDS) for detailed safety information.