2,6-Dichlorothiophenol

Base Information

• Chemical Name: 2,6-Dichlorothiophenol
• CAS No.: 24966-39-0
• Molecular Formula: C6H4Cl2S
• Molecular Weight: 179.07
• Hs Code.: 29309090
• European Community (EC) Number: 416-720-7,670-334-5
• DSSTox Substance ID: DTXSID60179680
• Nikkaji Number: J208.436H
• Wikidata: Q72468377
• Mol file: 24966-39-0.mol

Synonyms:2,6-Dichlorothiophenol;2,6-Dichlorobenzenethiol;24966-39-0;Benzenethiol, 2,6-dichloro-;2,6-Dichloro thiophenol;2,6-dichlorobenzene-1-thiol;2,6-dichloro-benzenethiol;SCHEMBL190658;DTXSID60179680;AMY25624;ZAA96639;MFCD00004833;AKOS000121486;s10969;AC-10713;AS-59066;CS-0076836;D1904;FT-0610636;EN300-16603;4-Thiazolecarboxylic acid, 5-ethyl-, ethyl ester;J-507459;Z56347203;F0001-0842

Chemical Property of 2,6-Dichlorothiophenol

Chemical Property:

• Appearance/Colour: yellow crystals or chunks
• Vapor Pressure: 0.0434mmHg at 25°C
• Melting Point: 48-50 °C(lit.)
• Boiling Point: 246.1 °C at 760 mmHg
• PKA: 5.17±0.50(Predicted)
• Flash Point: 97.5 °C
• PSA: 38.80000
• Density: 1.421 g/cm³
• LogP: 3.28210
• Storage Temp.: Store below +30°C.
• Sensitive.: Stench
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 177.9410767
• Heavy Atom Count: 9
• Complexity: 87.1

Purity/Quality:

99.9% ^*data from raw suppliers

2,6-Dichlorobenzenethiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn, Xi
• Hazard Codes: Xn,Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-37/39-36

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2,6-Dichlorothiophenol

There total 6 articles about 2,6-Dichlorothiophenol 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:

2,6-dichlorophenyl diethylcarbamate → 2,6-dichlorothiophenol (24966-39-0)

Guidance literature:

With sodium hydroxide; In diphenylether; at 80 - 120 ℃; for 8h; Flow reactor; Large scale;

Reference yield:

2,6-dichlorobenzenesulfonyl chloride (6579-54-0) → 2,6-dichlorothiophenol (24966-39-0)

Guidance literature:

With lithium aluminium tetrahydride; diethyl ether;

Reference yield:

2-(2,6-Dichloro-phenyl)-isothiourea; hydrochloride → 2,6-dichlorothiophenol (24966-39-0)

Guidance literature:

With sodium hydrogencarbonate;

DOI:10.1007/BF00906544

upstream raw materials:

2,6-dichlorobenzenesulfonyl chloride

Downstream raw materials:

methyl 3-{[(2,6-dichlorophenyl)thio]methyl}-5-(1-methylethyl)-4-isoxazolecarboxylate

3-tert-butyl-6-[(2,6-dichlorophenyl)thio][l,2,4]triazolo[4,3-a]pyridine

C₁₂H₇Cl₇S₂

(2,6-dichlorophenyl)(difluoromethyl)sulfane

Refernces

• 1、 Tait,Giovannini,Di Bella,Bondi,Quaglio. "S-aryl(tetramethyl)isothiouronium salts as possible antimicrobial agents - III". . p. 979 - 988. Retrieved 2007/10/02.