2,3-Dichlorothiophenol

Base Information

• Chemical Name: 2,3-Dichlorothiophenol
• CAS No.: 17231-95-7
• Molecular Formula: C6H4Cl2S
• Molecular Weight: 179.07
• Hs Code.: 29309090
• European Community (EC) Number: 605-631-0
• UNII: 43G4NGA9AN
• DSSTox Substance ID: DTXSID70169254
• Nikkaji Number: J208.435J
• Wikidata: Q72468382
• Mol file: 17231-95-7.mol

Synonyms:2,3-Dichlorothiophenol;17231-95-7;2,3-Dichlorobenzenethiol;2,3-dichlorobenzene-1-thiol;Benzenethiol, dichloro-;dichlorothiophenol;MFCD00041420;43G4NGA9AN;2,3-Dichiorothiophenol;2,3-dichloro-thiophenol;2,3-dichlorobenzene thiol;UNII-43G4NGA9AN;SCHEMBL191152;2,3-Dichlorothiophenol, 97%;QGRKONUHHGBHRB-UHFFFAOYSA-;DTXSID70169254;BENZENETHIOL, 2,3-DICHLORO-;AKOS005255847;PS-11925;SY024309;CS-0080797;D1903;FT-0609586;EN300-83294;A811403;J-506943

Chemical Property of 2,3-Dichlorothiophenol

Chemical Property:

• Appearance/Colour: white to slightly yellow crystals
• Vapor Pressure: 0.0364mmHg at 25°C
• Melting Point: 54.4-60.1 ºC
• Boiling Point: 249.3 ºC at 760 mmHg
• PKA: 5.12±0.48(Predicted)
• Flash Point: 99 °C
• PSA: 38.80000
• Density: 1.421 g/cm³
• LogP: 3.28210
• Sensitive.: Stench
• XLogP3: 3.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 177.9410767
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

99% ^*data from raw suppliers

2,3-Dichlorothiophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): XnXi
• Hazard Codes: Xn,Xi
• Statements: 22-41-36/37/38
• Safety Statements: 26-36/39-37/39

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

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

Technology Process of 2,3-Dichlorothiophenol

There total 4 articles about 2,3-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:

1,2,3-trichlorobenzene (87-61-6) → 2,3-dichlorobenzenethiol (17231-95-7)

Guidance literature:

With sodium hydrogensulfide; ammonia; copper diacetate; at 125 ℃;

Reference yield:

C11H15Cl2N2S(1+)*I(1-) → 2,3-dichlorobenzenethiol (17231-95-7)

Guidance literature:

With buffer (pH=11); at 20 ℃;

Reference yield:

2,3-dichloroaniline (608-27-5) → 2,3-dichlorobenzenethiol (17231-95-7)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. HCl, (ii) aq. EtOCS₂K;

upstream raw materials:

1,2,3-trichlorobenzene

2,3-dichloroaniline

Downstream raw materials:

2,2',3,3'-Tetrachlordibenzolsulfenamid

1-[2-(2,3-dichlorophenylsulfanyl)phenyl]piperazine hydrochloride

(+/-)-6-ethyl-6-[4-[(2,3-dichlorophenylthio)methyl]phenyl]-6,7-dihydrobenzo[b]pyrrolo[1,2-d][1,4]oxazepin-7-one

ethyl 5-(2,3-dichlorophenylsulfanyl)-4-nitrothiophene-2-carboxylate

Refernces