2-Chloroethyl phenyl sulfide

Base Information

• Chemical Name: 2-Chloroethyl phenyl sulfide
• CAS No.: 5535-49-9
• Molecular Formula: C8H9ClS
• Molecular Weight: 172.678
• Hs Code.: 2930909090
• European Community (EC) Number: 226-891-8
• NSC Number: 45458
• DSSTox Substance ID: DTXSID10203904
• Nikkaji Number: J31.961I
• Wikidata: Q26840736
• Mol file: 5535-49-9.mol

Synonyms:5535-49-9;2-Chloroethyl phenyl sulfide;(2-chloroethyl)(phenyl)sulfane;2-chloroethylsulfanylbenzene;Benzene, [(2-chloroethyl)thio]-;[(2-chloroethyl)thio]benzene;[(2-Chloroethyl)sulfanyl]benzene;2-(Phenylthio)ethyl chloride;((2-CHLOROETHYL)THIO)BENZENE;Benzene, ((2-chloroethyl)thio)-;EINECS 226-891-8;NSC 45458;2-Chloroethylphenylsulfide;(2-Chloroethyl)thiobenzene;NSC45458;2-phenylthioethylchloride;(2-chloroethylthio)benzene;1-chloro-2phenylthioethane;1-chloro-2-phenylthioethane;[2-(Chloroehtyl)thio]benzene;SCHEMBL123612;(2-chloro-ethyl) phenyl sulfide;DTXSID10203904;CS-M0048;[(2-Chloroethyl)sulfanyl]benzene #;2-Chloroethyl phenyl sulfide, 98%;MFCD00013691;NSC-45458;AKOS005206771;FT-0611944;EN300-51949;A830603;Q26840736

Chemical Property of 2-Chloroethyl phenyl sulfide

Chemical Property:

• Appearance/Colour: CLEAR COLORLESS LIQUID
• Vapor Pressure: 0.0443mmHg at 25°C
• Refractive Index: n20/D 1.583(lit.)
• Boiling Point: 245.7 °C at 760 mmHg
• Flash Point: 102 °C
• PSA: 25.30000
• Density: 1.16 g/cm³
• LogP: 3.01750
• Storage Temp.: Inert atmosphere,Room Temperature
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 172.0113492
• Heavy Atom Count: 10
• Complexity: 79.3

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Chloroethyl Phenyl Sulfide ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: C,T,Xi,Xn
• Statements: 34-36/37/38-20/21/22-23/24-45
• Safety Statements: 26-28-36/37/39-45-53

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)SCCCl
• Uses: 2-Chloroethyl phenyl sulfide, a sulfur mustard agent stimulant, may be used as target analyte in a bioassay for the detection of mustard agent.

Technology Process of 2-Chloroethyl phenyl sulfide

There total 33 articles about 2-Chloroethyl phenyl 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: 98.0%

2-(phenylthio)ethanol (699-12-7) → 2-Chloroethyl phenyl sulfide (5535-49-9)

Guidance literature:

With 1,3,5-trichloro-2,4,6-triazine; N,N-dimethyl-formamide; In dichloromethane; at 25 ℃; for 48h;

DOI:10.1021/ol017168p

Reference yield: 92.0%

thiophenol (108-98-5) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → 2-Chloroethyl phenyl sulfide (5535-49-9)

Guidance literature:

With sodium hydroxide;

DOI:10.1023/A:1021624329438

Reference yield: 90.0%

chloroethyl phenyl sulfoxide (27998-60-3) → 2-Chloroethyl phenyl sulfide (5535-49-9)

Guidance literature:

With ReOBr₂(hmpbta)(PPh₃); 4,4,5,5-tetramethyl-[1,3,2]-dioxaboralane; In tetrahydrofuran; for 0.75h; Reagent/catalyst; Time; chemoselective reaction; Reflux;

DOI:10.1002/ejoc.201301057

upstream raw materials:

2-(phenylthio)ethanol

1-butoxy-2-phenylsulfanyl-ethane

2-chloroethyl benzenesulfonate

thiophenol

Downstream raw materials:

1-[2-(phenylthio)ethyl]piperidine

N,N-dimethyl-2-(phenylthio)ethan-1-amine

O-Aethyl--methylthiophosphat

chloroethyl phenyl sulfoxide

Refernces

• 1、 -. "Luminogenic and fluorogenic compounds and methods to detect molecules or conditions". Paragraph 0314; 0315; 0316. . Retrieved 2016/07/27.
• 2、 Sousa, Sara C. A.,Bernardo, Joana R.,Wolff, Mariusz,Machura, Barbara,Fernandes, Ana C.. "Oxo-rhenium(V) complexes containing heterocyclic ligands as catalysts for the reduction of sulfoxides". . p. 1855 - 1859. Retrieved 2014/04/03.