2-Chloroethyl butyl sulfide

Base Information

• Chemical Name: 2-Chloroethyl butyl sulfide
• CAS No.: 4303-40-6
• Molecular Formula: C6H13ClS
• Molecular Weight: 152.688
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID20195644
• Nikkaji Number: J323.765F
• Wikidata: Q83068657
• Mol file: 4303-40-6.mol

Synonyms:2-chloroethyl butyl sulfide;butyl 2-chloroethyl sulfide

Chemical Property of 2-Chloroethyl butyl sulfide

Chemical Property:

• Vapor Pressure: 0.483mmHg at 25°C
• Boiling Point: 199.4°Cat760mmHg
• Flash Point: 78.1°C
• PSA: 25.30000
• Density: 0.998g/cm³
• LogP: 2.75850
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 5
• Exact Mass: 152.0426493
• Heavy Atom Count: 8
• Complexity: 39.5

Purity/Quality:

97% ^*data from raw suppliers

1-[(2-CHLOROETHYL)SULFANYL]BUTANE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCSCCCl

Technology Process of 2-Chloroethyl butyl sulfide

There total 5 articles about 2-Chloroethyl butyl 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: 85.6%

2-(butylthio)ethanol (5331-37-3) → butyl-(2-chloro-ethyl)-sulfide (4303-40-6)

Guidance literature:

With hydrogenchloride; toluene-4-sulfonic acid; In hydrogenchloride;

DOI:10.1007/BF00956905

Reference yield: 76.0%

n-butanethiol (109-79-5) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → butyl-(2-chloro-ethyl)-sulfide (4303-40-6) + 5,8-dithiadodecane (13362-39-5)

Guidance literature:

n-butanethiol; With potassium hydroxide; hydrazine hydrate; for 1h;

1,2-dichloro-ethane; at 50 ℃; for 2h;

DOI:10.1023/A:1022540002086

Reference yield:

2-(n-butylsulfinyl) ethanol (17655-54-8) → butyl-(2-chloro-ethyl)-sulfide (4303-40-6) + 2-hydroxyethyl n-butyl sulfone (21975-09-7)

Guidance literature:

With hydrogenchloride; sulfuric acid; In hydrogenchloride; for 2h;

DOI:10.1007/BF00956905

upstream raw materials:

1-butoxy-2-butylsulfanyl-ethane

2-(butylthio)ethanol

2-(n-butylsulfinyl) ethanol

n-butanethiol

Downstream raw materials:

1-(1-butylthio)-2-phenylethane

benzyl-(2-butylsulfanyl-ethyl)-amine

dithiophosphoric acid O,O'-diethyl ester-S-(2-butylsulfanyl-ethyl ester)

ethene