3,5-Bis(trifluoromethyl)benzenethiol

Base Information

• Chemical Name: 3,5-Bis(trifluoromethyl)benzenethiol
• CAS No.: 130783-02-7
• Molecular Formula: C8H4F6S
• Molecular Weight: 246.176
• Hs Code.: 29309090
• Mol file: 130783-02-7.mol

Synonyms:3,5-Bis(trifluoromethyl)thiophenol;

Chemical Property of 3,5-Bis(trifluoromethyl)benzenethiol

Chemical Property:

• Appearance/Colour: clear colorless to slightly yellow liquid
• Vapor Pressure: 2.3mmHg at 25°C
• Melting Point: 71 °C
• Refractive Index: n20/D 1.442(lit.)
• Boiling Point: 166.887 °C at 760 mmHg
• PKA: 4.90±0.11(Predicted)
• Flash Point: 58.669 °C
• PSA: 38.80000
• Density: 1.456 g/cm³
• LogP: 4.01290
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Sensitive.: Air Sensitive
• Water Solubility.: Insoluble in water but soluble in alcohol and ether.

Purity/Quality:

99% ^*data from raw suppliers

3,5-Bis(trifluoromethyl)thiophenol ^*data from reagent suppliers

Safty Information:

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

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Uses: 3,5-Bis(trifluoromethyl)thiophenol, is an important organic intermediate. It can be used in agrochemical, pharmaceutical and dyestuff field.

Technology Process of 3,5-Bis(trifluoromethyl)benzenethiol

There total 2 articles about 3,5-Bis(trifluoromethyl)benzenethiol 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: 51.0%

3,5-bis(trifluoromethyl)benzenesulfonyl chloride (39234-86-1) → 3,5-bis(trifluoromethyl)thiophenol (130783-02-7)

Guidance literature:

With potassium formate; at 200 ℃; for 7h; neat (no solvent);

DOI:10.1080/00397911.2011.559317

Reference yield:

S-3,5-bis(trifluoromethyl)phenyl dimethylthiocarbamate → 3,5-bis(trifluoromethyl)thiophenol (130783-02-7)

Guidance literature:

With hydrogenchloride; sodium methylate; In N-methyl-acetamide; methanol;

Reference yield: 100.0%

(5-cyanopyridin-2-yl)methyl methanesulfonate (1312008-07-3) + 3,5-bis(trifluoromethyl)thiophenol (130783-02-7) → 6-(((3,5-bis(trifluoromethyl)phenyl)thio)methyl)nicotinonitrile

Guidance literature:

3,5-bis(trifluoromethyl)thiophenol; With sodium hydroxide; In methanol; for 0.166667h; Inert atmosphere;

(5-cyanopyridin-2-yl)methyl methanesulfonate; In methanol; at 20 ℃; for 0.25h;

upstream raw materials:

3,5-bis(trifluoromethyl)benzenesulfonyl chloride

Downstream raw materials:

isopropyl {[3,5-bis(trifluoromethyl)phenyl]thio}acetate

benzyl {[3,5-bis(trifluoromethyl)phenyl]thio}acetate

2-[3,5-di(trifluoromethyl)phenylsulfanyl]-1-ethanol

2-(3,5-bis-trifluoromethyl-phenylsulfanyl)-benzaldehyde

Refernces

• 1、 -. "β-D-phenylthioxylosides, their method of preparation and their use as therapeutic agents". . . Retrieved 2008/06/13.