1-Chloro-4-[[(2-chloroethyl)thio]methyl]benzene

Base Information

• Chemical Name: 1-Chloro-4-[[(2-chloroethyl)thio]methyl]benzene
• CAS No.: 71501-38-7
• Molecular Formula: C9H10 Cl2 S
• Molecular Weight: 221.15
• European Community (EC) Number: 275-566-7
• DSSTox Substance ID: DTXSID70991971
• Nikkaji Number: J289.187E
• Wikidata: Q82981964
• Mol file: 71501-38-7.mol

Synonyms:71501-38-7;1-CHLORO-4-[[(2-CHLOROETHYL)THIO]METHYL]BENZENE;EINECS 275-566-7;1-chloro-4-(2-chloroethylsulfanylmethyl)benzene;1-Chloro-4-(((2-chloroethyl)thio)methyl)benzene;Benzene,1-chloro-4-[[(2-chloroethyl)thio]methyl]-;C9-H10-Cl2-S;DTXSID70991971;AKOS024335228;4-CHLOROBENZYL 2-CHLOROETHYL SULFIDE;1-CHLORO-4-{[(2-CHLOROETHYL)SULFANYL]METHYL}BENZENE

Chemical Property of 1-Chloro-4-[[(2-chloroethyl)thio]methyl]benzene

Chemical Property:

• Vapor Pressure: 0.0014mmHg at 25°C
• Boiling Point: 306.4°C at 760 mmHg
• Flash Point: 133.3°C
• PSA: 25.30000
• Density: 1.256g/cm³
• LogP: 3.81200
• XLogP3: 3.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 4
• Exact Mass: 219.9880269
• Heavy Atom Count: 12
• Complexity: 111

Purity/Quality:

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

4-CHLOROBENZYL 2-CHLOROETHYL SULFIDE AldrichCPR ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1CSCCCl)Cl

Technology Process of 1-Chloro-4-[[(2-chloroethyl)thio]methyl]benzene

There total 3 articles about 1-Chloro-4-[[(2-chloroethyl)thio]methyl]benzene 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:

4-chlorobenzyl 2-hydroxyethyl monosulfide (71501-40-1) → (2-chloro-ethyl)-(4-chloro-benzyl)-sulfide (71501-38-7)

Guidance literature:

With thionyl chloride; In chloroform; for 2h; Heating;

Reference yield:

1-Chloro-4-(chloromethyl)benzene (104-83-6) → (2-chloro-ethyl)-(4-chloro-benzyl)-sulfide (71501-38-7)

Guidance literature:

Multi-step reaction with 2 steps

1.1: NaOMe / methanol

1.2: methanol / 2 h

2.1: thionyl chloride / CHCl₃ / 2 h / Heating

With thionyl chloride; sodium methylate; In methanol; chloroform;

Reference yield:

sodium (4-C6H4ClCH2)(thiolate) (43170-85-0) + 1,2-dichloro-ethane (107-06-2,52399-93-6) → (2-chloro-ethyl)-(4-chloro-benzyl)-sulfide (71501-38-7)

Guidance literature:

With methanol;

DOI:10.1139/v57-073

upstream raw materials:

sodium (4-C₆H₄ClCH₂)(thiolate)

1,2-dichloro-ethane

4-chlorobenzyl 2-hydroxyethyl monosulfide

1-Chloro-4-(chloromethyl)benzene

Downstream raw materials:

2-[2-(4-chloro-benzylsulfanyl)-ethylsulfanyl]-ethanol

2-(4-chloro-benzylsulfanyl)-ethyl thiocyanate

dimethyl-dithiocarbamic acid-[2-(4-chloro-benzylsulfanyl)-ethyl ester]

2,2'-bis(4-chlorobenzylthio)diethylamine