3823-40-3

Basic information

• Product Name: 3-(TRIFLUOROMETHYLTHIO)PHENOL
• Synonyms: 3-TRIFLUOROMETHYLMERCAPTOPHENOL;3-Hydroxy-alpha,alpha,alpha-trifluoro(thioanisole);3-hydroxy-à,à,à-trifluoro(thioanisole);3-(Trifluoromethylthio)phenol97%
• CAS NO: 3823-40-3
• Molecular Formula: C₇H₅F₃OS
• Molecular Weight: 194.17
• Product Categories: Aromatic Phenols
• Mol File: 3823-40-3.mol
• Article Data: 2

Chemical Properties

• Melting Point: 67-68°C
• Boiling Point: 76-80°C 2,5mm
• Flash Point: 54.2°C
• Appearance: /
• Density: 1.45g/cm³
• Vapor Pressure: 1.38mmHg at 25°C
• Refractive Index: 1.529
• Sensitive: Stench
• CAS DataBase Reference: 3-(TRIFLUOROMETHYLTHIO)PHENOL(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(TRIFLUOROMETHYLTHIO)PHENOL(3823-40-3)
• EPA Substance Registry System: 3-(TRIFLUOROMETHYLTHIO)PHENOL(3823-40-3)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22-36/37/38
• Safety Statements: 26-36/37/39
• Hazardous Substances Data: 3823-40-3(Hazardous Substances Data)

Usage

Uses

3-[(Trifluoromethyl)thio]phenol is a reactant used in the preparation of 2-azolyl-4-phenoxypyrimidines as highly active herbicides that inhibit carotenoid biosynthesis.

InChI:InChI=1/C7H5F3OS/c8-7(9,10)12-6-3-1-2-5(11)4-6/h1-4,11H

Upstream product

• 626-02-8 3-Iodophenol 
• 811-68-7 silver(I) trifluoromethanethiolate 
• 369-68-6 3-(trifluoromethylthio)aniline 

Relevant articles and documents

Gold (I/III)-Catalyzed Trifluoromethylthiolation and Trifluoromethylselenolation of Organohalides

The first C?SCF3/SeCF3 cross-coupling reactions using gold redox catalysis [(MeDalphos)AuCl], AgSCF3 or Me4NSeCF3, and organohalides as substrates are reported. The new methodology enables a one-stop shop synthesis of aryl/alkenyl/alkynyl trifluoromethylthio- and selenoethers with a broad substrate scope (>60 examples with up to 97 % isolated yield). The method is scalable, and its robustness is evidenced by the late-stage functionalization of various bioactive molecules, which makes this reaction an attractive alternative in the synthesis of trifluoromethylthio- and selenoethers for pharmaceutical and agrochemical research and development.