1-Chloro-4-(ethylthio)benzene

Base Information

• Chemical Name: 1-Chloro-4-(ethylthio)benzene
• CAS No.: 5120-72-9
• Molecular Formula: C8H9ClS
• Molecular Weight: 172.678
• Hs Code.: 2930909090
• DSSTox Substance ID: DTXSID20415879
• Nikkaji Number: J265.537C
• Wikidata: Q82224933
• Mol file: 5120-72-9.mol

Synonyms:1-CHLORO-4-(ETHYLTHIO)BENZENE;5120-72-9;1-chloro-4-ethylsulfanylbenzene;4-Chlorophenyl ethyl sulfide;Ethyl p-chlorophenyl sulfide;p-Chlorophenylethyl sulfide;p-Chlorophenyl ethyl sulfide;(4-chlorophenyl)(ethyl)sulfane;1-Chloro-4-(ethyl thio)benzene;DTXSID20415879;1-chloro-4-(ethylsulfanyl)benzene;Benzene, 1-chloro-4-(ethylthio)-;MFCD00039305;AKOS005207260;FT-0607626;InChI=1/C8H9ClS/c1-2-10-8-5-3-7(9)4-6-8/h3-6H,2H2,1H

Chemical Property of 1-Chloro-4-(ethylthio)benzene

Chemical Property:

• Vapor Pressure: 0.0586mmHg at 25°C
• Refractive Index: 1.574
• Boiling Point: 240.5°C at 760 mmHg
• Flash Point: 99.3°C
• PSA: 25.30000
• Density: 1.16g/cm³
• LogP: 3.45200
• XLogP3: 3.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 172.0113492
• Heavy Atom Count: 10
• Complexity: 87.3

Purity/Quality:

98.5% ^*data from raw suppliers

1-Chloro-4-(ethylthio)benzene 99% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Hazard Codes: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Statements: R20/21/22:Harmful by inhalation, in contact with skin and if swallowed.
• Safety Statements: S23:Do not inhale gas/fumes/vapour/spray.; S36/37:Wear suitable protective clothing and gloves.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCSC1=CC=C(C=C1)Cl

Technology Process of 1-Chloro-4-(ethylthio)benzene

There total 31 articles about 1-Chloro-4-(ethylthio)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: 95.0%

ethyl bromide (74-96-4) + 4,4'-dichlorodiphenyl disulfide (1142-19-4) → p-chlorophenyl ethyl sulfide (5120-72-9)

Guidance literature:

With water; rongalite; potassium carbonate; In N,N-dimethyl-formamide; for 0.25h;

DOI:10.1055/s-2006-950363

Reference yield: 93.0%

4,4'-dichlorodiphenyl disulfide (1142-19-4) + benzoic acid ethyl ester (93-89-0,99341-95-4) → p-chlorophenyl ethyl sulfide (5120-72-9)

Guidance literature:

With hexamethyldisilathiane; potassium carbonate; In 1-methyl-pyrrolidin-2-one; at 120 ℃; for 8h; Reagent/catalyst; Solvent; Sealed tube;

DOI:10.1002/asia.202101101

Reference yield: 86.0%

1-Chloro-4-iodobenzene (637-87-6) + ethanethiol (75-08-1) → p-chlorophenyl ethyl sulfide (5120-72-9)

Guidance literature:

With potassium phosphate; copper(l) iodide; tetrabutylammomium bromide; In N,N-dimethyl-formamide; for 22h; Heating;

DOI:10.1016/j.tetlet.2008.01.060

upstream raw materials:

diethyl sulfate

p-Chlorothiophenol

bromochlorobenzene

ethyl bromide

Downstream raw materials:

1-(ethylsulfonyl)-4-chlorobenzene

ethyl (4-chloro)phenyl sulfoxide

4-(ethylsulfonyl)-2-nitro-phenol

1-chloro-4-(ethylsulphonyl)-2-nitrobenzene

Refernces

• 1、 Nakajima, Takumi,Takano, Ken,Maeda, Hiromu,Ogiwara, Yohei,Sakai, Norio. "Production of Alkyl Aryl Sulfides from Aromatic Disulfides and Alkyl Carboxylates via a Disilathiane–Disulfide Interchange Reaction". supporting information. p. 4103 - 4107. Retrieved 2021/11/10.
• 2、 Sakai, Norio,Maeda, Hiromu,Ogiwara, Yohei. "Copper-Catalyzed Three-Component Coupling Reaction of Aryl Iodides, a Disilathiane, and Alkyl Benzoates Leading to a One-Pot Synthesis of Alkyl Aryl Sulfides". . p. 2323 - 2330. Retrieved 2019/05/24.