CAS 4332-51-8

[[(2-Chloroethyl)thio]methyl]benzene

Description:

[[2-Chloroethyl)thio]methyl]benzene, also known as benzyl thioethyl chloride, is an organic compound characterized by the presence of a benzene ring substituted with a thioether and a chloroethyl group. This compound typically appears as a colorless to pale yellow liquid with a distinctive odor. It is soluble in organic solvents but has limited solubility in water due to its hydrophobic benzene structure. The presence of the chloroethyl group makes it reactive, particularly in nucleophilic substitution reactions, which can lead to the formation of various derivatives. The thioether linkage contributes to its chemical reactivity, allowing it to participate in reactions typical of sulfur-containing compounds. Safety considerations are important when handling this substance, as it may pose health risks, including skin and respiratory irritation. Proper storage in a cool, dry place away from incompatible materials is essential to maintain its stability and prevent degradation. Overall, this compound is of interest in organic synthesis and may have applications in pharmaceuticals and agrochemicals.

Formula: C₉H₁₁ClS

InChI: InChI=1S/C9H11ClS/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8H2

InChI key: InChIKey=UQSMMTFBNJUPGW-UHFFFAOYSA-N

SMILES: C(SCCCl)C1=CC=CC=C1

Synonyms:

• 1-Benzylthio-2-chloroethane
• 1-Chloro-2-(benzylthio)ethane
• 2-(Benzylthio)ethyl chloride
• 2-Chloroethyl benzyl sulfide
• ALPHA-(2-Chloroethylthio)-toluene
• Benzene, [[(2-chloroethyl)thio]methyl]-
• Benzyl 2-chloroethyl sulfide
• Benzyl β-chloroethyl sulfide
• NSC 11270
• Sulfide, benzyl 2-chloroethyl
• [[(2-Chloroethyl)thio]methyl]benzene
• {[(2-Chloroethyl)Sulfanyl]Methyl}Benzene

{[(2-chloroethyl)sulfanyl]methyl}benzene

CAS: 4332-51-8

Formula: C₉H₁₁ClS

Molecular weight: 186.7016

Ref: IN-DA00DFTW

{[(2-Chloroethyl)sulfanyl]methyl}benzene

CAS: 4332-51-8

2-Chloroethylbenzene is an alkylating agent that reacts with a nucleophile to form a new carbon-carbon bond. It is used as a synthetic intermediate for the production of 2-chloroethyl sulfide and episulfide. 2-Chloroethylbenzene can be synthesized by the reaction of benzyl chloride with ethylene, amines, or other alkylating agents in the presence of sodium hydroxide. 2-Chloroethylbenzene can also be synthesized by the debenzylation of 2-chloroethenylbenzene with hydrochloric acid and potassium hydroxide.
Fluorination of 2-chloroethylbenzene will yield 2-chloroethyl fluoroformate, which is an important precursor to pesticides.

Formula: C₉H₁₁ClS

Purity: Min. 95%

Molecular weight: 186.7 g/mol

Ref: 3D-EAA33251