2-Chloroethyl ethyl sulfide

Base Information

• Chemical Name: 2-Chloroethyl ethyl sulfide
• CAS No.: 693-07-2
• Molecular Formula: C4H9ClS
• Molecular Weight: 124.634
• Hs Code.: 29309090
• European Community (EC) Number: 211-742-1
• NSC Number: 10977
• UNII: 5MN267Q6RG
• DSSTox Substance ID: DTXSID3027295
• Nikkaji Number: J3.021J
• Wikipedia: 2-Chloroethyl_ethyl_sulfide
• Wikidata: Q26840793
• ChEMBL ID: CHEMBL3183525
• Mol file: 693-07-2.mol

Synonyms:2-chloroethyl ethyl sulfide;CEES

Chemical Property of 2-Chloroethyl ethyl sulfide

Chemical Property:

• Appearance/Colour: clear colourless to light yellow liquid
• Vapor Pressure: 3.79mmHg at 25°C
• Refractive Index: 1.4875-1.4895
• Boiling Point: 156-157 ºC
• Flash Point: 52 ºC
• PSA: 25.30000
• Density: 1.07
• LogP: 1.97830
• Storage Temp.: 0-6°C
• Water Solubility.: Insoluble
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 124.0113492
• Heavy Atom Count: 6
• Complexity: 23.5

Purity/Quality:

99% ^*data from raw suppliers

2-Chloroethyl Ethyl Sulfide ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xn,T
• Statements: 40-36/37/38-22-10-20/21/22-34-23/24-45
• Safety Statements: 36/37/39-26-16-45-27-53

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Sulfur Compounds
• Canonical SMILES: CCSCCCl

Technology Process of 2-Chloroethyl ethyl sulfide

There total 9 articles about 2-Chloroethyl ethyl sulfide which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 68.0%

1,2-dichloro-ethane (107-06-2,52399-93-6) + ethanethiol (75-08-1) → 1,2-bis(ethylthio)ethane (5395-75-5) + 2-Chloroethyl ethyl sulfide (693-07-2)

Guidance literature:

ethanethiol; With potassium hydroxide; hydrazine hydrate; for 1h;

1,2-dichloro-ethane; at 50 ℃; for 2h;

DOI:10.1023/A:1022540002086

Reference yield:

Ethyl-(2-ethylsulfanyl-ethyl)-(2-hydroxy-ethyl)-sulfonium → 1,2-bis(ethylthio)ethane (5395-75-5) + chloroethane (75-00-3) + 2-(ethylsulfanyl)ethanol (110-77-0) + 6-oxa-3,9-dithiaundecane (5648-30-6) + 2-Chloroethyl ethyl sulfide (693-07-2)

Guidance literature:

With hydrogenchloride; In water; at 90 ℃; for 1h; Product distribution; Mechanism;

Reference yield:

thionyl chloride (7719-09-7) + 3,6-dithiaoctan-1-ol (57830-41-8) → 1,4-Dithiane (505-29-3) + 2-Chloroethyl ethyl sulfide (693-07-2)

Guidance literature:

at 100 ℃;

upstream raw materials:

ethene

Ethanesulfenyl chloride

2-(ethylsulfanyl)ethanol

1-ethylsulfanyl-2-butoxy-ethane

Downstream raw materials:

1-(2-ethylmercapto-ethyl)-4-phenyl-piperidine-4-carboxylic acid ethyl ester

1,2-bis(ethylthio)ethane

ethene

thiophene

Refernces

• 1、 Rourhbaugh, Dennis K.,Yang, Yu-Chu,Ward, J. Richard. "THE CHARACTERIZATION OF SULFONIUM CHLORIDES BY GAS CHROMATOGRAPHY/MASS SPCTROMETRY AND THE DEGRADATION OF 2-CHLOROETHYL SULFIDE DERIVATIVES". . p. 17 - 26. Retrieved 2007/10/02.