2-Fluorothiophenol

Base Information

• Chemical Name: 2-Fluorothiophenol
• CAS No.: 2557-78-0
• Molecular Formula: C6H5FS
• Molecular Weight: 128.17
• Hs Code.: 29309090
• European Community (EC) Number: 628-769-3
• DSSTox Substance ID: DTXSID70334283
• Nikkaji Number: J927.975J
• Wikidata: Q72477167
• Mol file: 2557-78-0.mol

Synonyms:2-Fluorothiophenol;2557-78-0;2-Fluorobenzenethiol;o-Fluorothiophenol;2-FLUOROBENZENE-1-THIOL;o-fluorobenzenethiol;(2-fluorophenyl)sulfanide;2-FLUORO THIOPHENOL;fluorothiophenol;2-fluoro-thiophenol;MFCD00041419;2-fluoro-benzenethiol;2-fluorobenzene thiol;2-Mercaptofluorobenzene;2-Fluorobenzenethiol #;2-Fluorothiophenol, 97%;SCHEMBL19056;DTXSID70334283;AKOS005254476;PS-9160;CS-0040417;F0419;FT-0612456;EN300-07354;F17745;J-509531

Chemical Property of 2-Fluorothiophenol

Chemical Property:

• Appearance/Colour: clear colorless to light yellow liquid
• Vapor Pressure: 2.8mmHg at 25°C
• Refractive Index: n20/D 1.557(lit.)
• Boiling Point: 162.7 °C at 760 mmHg
• PKA: 6.00±0.43(Predicted)
• Flash Point: 56.5 °C
• PSA: 38.80000
• Density: 1.206 g/cm³
• LogP: 2.11440
• Storage Temp.: Flammables area
• Sensitive.: Stench
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 128.00959950
• Heavy Atom Count: 8
• Complexity: 74.9

Purity/Quality:

99.9% ^*data from raw suppliers

2-Fluoro-benzenethiol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi; T
• Hazard Codes: Xi,T
• Statements: 10-36/37/38
• Safety Statements: 16-26-36-36/37/39-27

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C(=C1)F)S
• Uses: 2-Fluorothiophenol was used in the synthesis of 2-bromo-2′-fluorodiphenyl sulfide.

Technology Process of 2-Fluorothiophenol

There total 5 articles about 2-Fluorothiophenol 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:

[Dimethylamino-(2-fluoro-phenylsulfanyl)-methylene]-dimethyl-ammonium; iodide → 2-fluorothiophenol (2557-78-0) + tetramethylurea (632-22-4)

Guidance literature:

at 20 ℃; Rate constant; pH=11;

DOI:10.1002/ardp.19873200304

Reference yield:

o-Fluorophenylthioglycolic acid (705-02-2) → 2-fluorothiophenol (2557-78-0)

Guidance literature:

With perchloric acid; pyridinium chlorochromate; In water; acetic acid; at 24.85 - 44.85 ℃; Kinetics;

DOI:10.1002/(SICI)1097-4601(1999)31:10<683::AID-JCK1>3.0.CO;2-9

Reference yield:

2-Fluoroaniline (348-54-9) → 2-fluorothiophenol (2557-78-0)

Guidance literature:

Multistep reaction; (i) NaNO₂, aq. H₂SO₄, (ii) EtOCS₂K, Na₂B₄O₇, (iii) KOH, EtOH;

DOI:10.1135/cccc19792139

upstream raw materials:

o-Fluorophenylthioglycolic acid

2-Fluoroaniline

Downstream raw materials:

2-((2-fluorophenyl)thio)benzoic acid

2-Fluoro-2'-(trifluoromethyl)diphenyl Sulfide

2-((2-fluorophenyl)thio)acetonitrile

5-(2-fluoro-phenylsulfanyl)-3-methoxy-6-nitro-benzofuran

Refernces

• 1、 Kabilan,Girija,Rajagopal. "Oxidative cleavage of S-Arylmercaptoacetic acids by pyridinium chlorochromate: Kinetic and correlation analysis". . p. 683 - 688. Retrieved 2007/10/03.
• 2、 Tait,Parenti,Di Bella,Bondi,Quaglio. "S-Aryl(tetramethyl)isothiouronium salts as potential antimicrobial agents, II". . p. 203 - 210. Retrieved 2007/10/02.