3-(Trifluoromethyl)thiophenol

Base Information

• Chemical Name: 3-(Trifluoromethyl)thiophenol
• CAS No.: 937-00-8
• Molecular Formula: C7H5F3S
• Molecular Weight: 178.178
• Hs Code.: 2930909090
• Mol file: 937-00-8.mol

Synonyms:m-Toluenethiol,a,a,a-trifluoro- (6CI,7CI,8CI);3-(Trifluoromethyl)benzenethiol;3-(Trifluoromethyl)thiophenol;NSC 88281;m-(Trifluoromethyl)thiophenol;m-Trifluoromethylbenzenethiol;

Chemical Property of 3-(Trifluoromethyl)thiophenol

Chemical Property:

• Appearance/Colour: clear colorless liquid
• Vapor Pressure: 0.162mmHg at 25°C
• Refractive Index: 1.49
• Boiling Point: 175.4 °C at 760 mmHg
• PKA: 5.74±0.10(Predicted)
• Flash Point: 63 °C
• PSA: 38.80000
• Density: 1.314 g/cm³
• LogP: 2.99410
• Sensitive.: Stench

Purity/Quality:

98% ^*data from raw suppliers

3-(Trifluoromethyl)thiophenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 3-(Trifluoromethyl)thiophenol

There total 11 articles about 3-(Trifluoromethyl)thiophenol 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: 95.4%

3-(Trifluoromethyl)benzenesulfonyl chloride (777-44-6) → 3-trifluoromethyl-thiophenol (937-00-8)

Guidance literature:

With acetic acid; zinc; for 8h; Reagent/catalyst; Solvent; Reflux;

Reference yield: 90.0%

m-trifluoromethylphenyl iodide (401-81-0) → 3-trifluoromethyl-thiophenol (937-00-8)

Guidance literature:

m-trifluoromethylphenyl iodide; With copper(l) iodide; potassium carbonate; sulfur; In N,N-dimethyl-formamide; at 90 ℃; for 8h; Inert atmosphere;

With sodium tetrahydroborate; In N,N-dimethyl-formamide; at 40 ℃; Inert atmosphere; Cooling with ice;

DOI:10.1021/ol902186d

Reference yield: 84.0%

3-trifluoromethylphenyl sulfinic acid sodium salt (118849-61-9) → 3-trifluoromethyl-thiophenol (937-00-8)

Guidance literature:

With hydrogenchloride; tin; In water; for 24h; Heating;

DOI:10.1081/SCC-100104044

upstream raw materials:

3-trifluoromethylaniline

3-bromo-1-trifluoromethylbenzene

bis<3-(trifluoromethyl)phenyl> disulfide

3-(Trifluoromethyl)benzenesulfonyl chloride

Downstream raw materials:

(3-trifluoromethyl-phenylsulfanyl)-acetic acid

dimethylthio-carbamic acid, S-(α,α,α-trifluoro-m-tolyl) ester

6-(3-Trifluoromethyl-phenylsulfanyl)-pteridine-2,4-diamine

<2-(3-trifluoromethylphenylthio)phenyl>acetic acid