2,3,5-Trichlorothiophene

Base Information

• Chemical Name: 2,3,5-Trichlorothiophene
• CAS No.: 17249-77-3
• Molecular Formula: C4HCl3S
• Molecular Weight: 187.477
• Hs Code.: 29349990
• DSSTox Substance ID: DTXSID00169323
• Nikkaji Number: J1.720.187E
• Wikidata: Q83038985
• Mol file: 17249-77-3.mol

Synonyms:2,3,5-Trichlorothiophene;17249-77-3;Thiophene, 2,3,5-trichloro-;C4HCl3S;2,3,5-Trichloro-thiophene;AI3-16301;Thiophene,2,3,5-trichloro-;SCHEMBL9255277;DTXSID00169323;AZIFHMYTYFPVMV-UHFFFAOYSA-N;MFCD01318176;AKOS006228970;AS-58316;FT-0609448;EN300-137616;F81509;J-506889

Chemical Property of 2,3,5-Trichlorothiophene

Chemical Property:

• Vapor Pressure: 0.457mmHg at 25°C
• Melting Point: -16 °C
• Refractive Index: 1.5790
• Boiling Point: 200.5 °C at 760 mmHg
• Flash Point: 95.6 °C
• PSA: 28.24000
• Density: 1.633 g/cm³
• LogP: 3.70830
• Storage Temp.: 2-8°C
• XLogP3: 4.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 185.886454
• Heavy Atom Count: 8
• Complexity: 87.4

Purity/Quality:

99% ^*data from raw suppliers

2,3,5-Trichlorothiophene 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
• Hazard Codes: R23/24/25:Toxic by inhalation, in contact with skin and if swallowed.
• Statements: 23/24/25
• Safety Statements: 23-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=C(SC(=C1Cl)Cl)Cl

Technology Process of 2,3,5-Trichlorothiophene

There total 5 articles about 2,3,5-Trichlorothiophene 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: 59.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) → 2,3,4,5-tetrachlorothiophene (6012-97-1) + 2,3,5-trichlorothiophene (17249-77-3)

Guidance literature:

With chlorine; iron(III) chloride; In tetrachloromethane; at 30 ℃; for 10h;

Reference yield: 26.0%

thiophene (188290-36-0,8014-23-1,25233-34-5) → 2,5-diclorothiophene (3172-52-9,173777-89-4) + 2,3,5-trichlorothiophene (17249-77-3)

Guidance literature:

With N-chloro-succinimide; In acetic acid; for 2h; Heating;

Reference yield: 8.0%

3-chlorothiophene (17249-80-8) → 2,3-Dichlorothiophene (17249-79-5) + 2,3,5-trichlorothiophene (17249-77-3)

Guidance literature:

With chlorine; In tetrachloromethane; at 0 ℃; for 0.75h;

upstream raw materials:

2-bromothiophene

2,2,3,4,5-pentachloro-tetrahydro-thiophene

thiophene

3-chlorothiophene

Refernces

• 1、 Temciuc, Marcel,Hoernfeldt, Anna-Britta,Gronowitz, Salo. "Polychlorination of Thiophene. A Reinvestigation". . p. 791 - 796. Retrieved 2007/10/03.