2,5-Difluorobenzenethiol

Base Information

• Chemical Name: 2,5-Difluorobenzenethiol
• CAS No.: 77380-28-0
• Molecular Formula: C6H4F2S
• Molecular Weight: 146.161
• Hs Code.: 2930909090
• European Community (EC) Number: 860-175-1
• DSSTox Substance ID: DTXSID60397105
• Wikidata: Q72464319
• Mol file: 77380-28-0.mol

Synonyms:2,5-difluorobenzenethiol;77380-28-0;2,5-Difluoro thiophenol;2,5-DIFLUOROTHIOPHENOL;Benzenethiol,2,5-difluoro-;2,5-difluorobenzene-1-thiol;SCHEMBL425322;DTXSID60397105;PQRVQUXEBQKVEQ-UHFFFAOYSA-N;MFCD04973437;2,5-difluoro thiophenol, AldrichCPR;AKOS009031205;BS-53315;CS-0308883;FT-0652323;EN300-13809;C13372;J-507337

Chemical Property of 2,5-Difluorobenzenethiol

Chemical Property:

• Appearance/Colour: colorless to light yellow liquid
• Vapor Pressure: 2.83mmHg at 25°C
• Refractive Index: 1.535
• Boiling Point: 162.4 ºC at 760 mmHg
• Flash Point: 56.4 ºC
• PSA: 38.80000
• Density: 1.323 g/cm³
• LogP: 2.25350
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 146.00017763
• Heavy Atom Count: 9
• Complexity: 97.1

Purity/Quality:

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

2,5-Difluorothiophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=C(C=C1F)S)F
• Use Description: 2,5-DIFLUORO THIOPHENOL finds applications in various fields due to its unique properties. In the field of organic synthesis, it serves as a valuable building block for the creation of more complex organic compounds. Its fluorinated structure makes it particularly useful in the pharmaceutical industry, where it can be incorporated into drug molecules to enhance their stability and bioavailability. Additionally, in agrochemical research, it plays a role in the development of pesticides and herbicides. This compound is also employed in material science, contributing to the synthesis of advanced materials and polymers. Furthermore, 2,5-DIFLUORO THIOPHENOL can find applications in analytical chemistry as a reference standard or reagent in various analytical techniques. Overall, its versatility and unique chemical properties make it a valuable compound in multiple scientific and industrial fields.

Technology Process of 2,5-Difluorobenzenethiol

There total 3 articles about 2,5-Difluorobenzenethiol 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: 87.0%

2,5-difluorobenzenesulfonyl chloride (26120-86-5) → 2,5-Difluorothiophenol (77380-28-0)

Guidance literature:

With formic acid; 6% Pd/C; triphenylphosphine; at 60 ℃; for 8h;

DOI:10.1080/17415993.2012.654392

Reference yield: 85.0%

2,5-Difluoro-benzenesulfonic acid → 2,5-Difluorothiophenol (77380-28-0)

Guidance literature:

With 6% Pd/C; iodine; triphenylphosphine; isopropyl alcohol; for 10h; Reflux;

DOI:10.1080/17415993.2012.654392

Reference yield:

2,5-difluoroaniline (367-30-6) → 2,5-Difluorothiophenol (77380-28-0)

Guidance literature:

Yield given. Multistep reaction;

DOI:10.1135/cccc19802688 DOI:10.1135/cccc19823114

upstream raw materials:

2,5-difluoroaniline

2,5-difluorobenzenesulfonyl chloride

Downstream raw materials:

3-((2,5-difluorophenyl)thio)propanoyl chloride

3-((2,5-difluorophenyl)thio)propanoic acid

(3-(benzyloxy)cyclobutyl)(2,5-difluorophenyl)sulfane

2-(2,5-Difluorophenylthio)-5-methoxy-α-(1-methyl-4-piperidyl)benzyl Alcohol

Refernces

• 1、 Zhou, Shaodong,Qian, Chao,Chen, Xinzhi. "Solvent-free synthesis of thiophenol using uncatalyzed transfer hydrogenation". experimental part. p. 2432 - 2439. Retrieved 2012/06/18.
• 2、 Cervena,Hrubantova,Svatek,et al.. "Fluorinated analogues of tricyclic neuroleptics: 6,9-Difluoro derivative of 10-(4-methylpiperazino)-10,11-dihydrodibenzo[b,f]thiepin". . p. 2688 - 2694. Retrieved 2007/10/02.