130783-02-7

Basic information

• Product Name: 3,5-Bis(trifluoromethyl)benzenethiol
• Synonyms: 3,5-BIS(TRIFLUOROMETHYL)THIOPHENOL;3,5-BIS(TRIFLUOROMETHYL)BENZENETHIOL;3,5-Bis(trifluoromethyl)thiophenol 95%;3,5-Bis(trifluoromethyl)thiophenol95%;3,5-Bis(trifluoromethyl)thiophenol,98%;3,5-bis(trifluoroMethyl)benzene-1-thiol;alpha,alpha,alpha,alpha',alpha',alpha'-Hexafluoro-5-thio-m-xylene, 3,5-Bis(trifluoromethyl)phenyl mercaptan;3,5-Bis(trifluoromethyl)benzenethiol 97%
• CAS NO: 130783-02-7
• Molecular Formula: C₈H₄F₆S
• Molecular Weight: 246.17
• Product Categories: Fluorides;Aromatic Phenols;Building Blocks;Chemical Synthesis;Organic Building Blocks;Sulfur Compounds;Thiols/Mercaptans
• Mol File: 130783-02-7.mol
• Article Data: 2

Chemical Properties

• Melting Point: 71 °C
• Boiling Point: 167 °C(lit.)
• Flash Point: 150 °F
• Appearance: clear colorless to slightly yellow liquid
• Density: 1.46 g/mL at 25 °C(lit.)
• Vapor Pressure: 2.3mmHg at 25°C
• Refractive Index: n20/D 1.442(lit.)
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• PKA: 4.90±0.11(Predicted)
• Water Solubility: Insoluble in water but soluble in alcohol and ether.
• Sensitive: Air Sensitive
• CAS DataBase Reference: 3,5-Bis(trifluoromethyl)benzenethiol(CAS DataBase Reference)
• NIST Chemistry Reference: 3,5-Bis(trifluoromethyl)benzenethiol(130783-02-7)
• EPA Substance Registry System: 3,5-Bis(trifluoromethyl)benzenethiol(130783-02-7)

Safety Data

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36
• RIDADR: UN 3334
• WGK Germany: 3
• HazardClass: IRRITANT, AIR SENSITIVE, STENCH
• Hazardous Substances Data: 130783-02-7(Hazardous Substances Data)

Usage

Description

3,5-Bis(trifluoromethyl)benzenethiol, also known as 3,5-Bis(trifluoromethyl)thiophenol, is an important organic intermediate with clear colorless to slightly yellow liquid properties. It is characterized by the presence of trifluoromethyl groups on the 3 and 5 positions of the benzene ring, which impart unique chemical and physical properties to the molecule.

Uses

Used in Agrochemical Industry:
3,5-Bis(trifluoromethyl)benzenethiol is used as a key intermediate for the synthesis of various agrochemicals, such as pesticides and herbicides. Its unique chemical structure allows for the development of compounds with enhanced efficacy and selectivity in controlling pests and weeds.
Used in Pharmaceutical Industry:
In the pharmaceutical industry, 3,5-Bis(trifluoromethyl)benzenethiol is utilized as a building block for the development of new drugs. Its specific properties enable the creation of molecules with improved pharmacological profiles, potentially leading to more effective treatments for various diseases.
Used in Dyestuff Industry:
3,5-Bis(trifluoromethyl)benzenethiol is also employed in the dyestuff industry as a precursor for the production of various dyes. Its distinctive chemical structure contributes to the development of dyes with superior colorfastness and stability, making them suitable for a wide range of applications, including textiles, plastics, and printing inks.

InChI:InChI=1/C8H4F6S/c9-7(10,11)4-1-5(8(12,13)14)3-6(15)2-4/h1-3,15H/p-1

Upstream product

• 39234-86-1 3,5-bis(trifluoromethyl)benzenesulfonyl chloride 

Downstream Products

• 533888-83-4 isopropyl {[3,5-bis(trifluoromethyl)phenyl]thio}acetate 
• 533888-82-3 benzyl {[3,5-bis(trifluoromethyl)phenyl]thio}acetate 
• 450409-97-9 2-[3,5-di(trifluoromethyl)phenylsulfanyl]-1-ethanol 
• 643763-23-9 2-(3,5-bis-trifluoromethyl-phenylsulfanyl)-benzaldehyde 
• 863560-57-0 [3,5-bis(trifluoromethyl)phenyl] pentyl sulfide 
• 863560-56-9 [3,5-bis(trifluoromethyl)phenyl] 3,5-dimethoxybenzyl sulfide 
• 863560-55-8 [3,5-bis(trifluoromethyl)phenyl] benzyl sulfide 
• 863560-58-1 [3,5-bis(trifluoromethyl)phenyl] 4-nitrobenzyl sulfide 
• 685892-24-4 [3,5-bis(trifluoromethyl)phenyl] methyl sulfide 
• 917481-50-6 1-(isopropylsulfonyl)-3,5-bis(trifluoromethyl)benzene 
• 917481-53-9 1-phenylpropyl 3,5-bis(trifluoromethyl)phenyl sulfone 
• 667458-80-2 pentyl 3,5-bis(trifluoromethyl)phenyl sulfone 
• 667458-78-8 benzyl 3,5-bis(trifluoromethyl)phenyl sulfone 
• 863560-54-7 4-nitrobenzyl 3,5-bis(trifluoromethyl)phenyl sulfone 

Relevant articles and documents

Solvent-free synthesis of thiophenol using uncatalyzed transfer hydrogenation

Clean and sustainable transfer hydrogenation for aryl sulfonamides and sulfonyl chlorides is described. The protocol is chemoselective and uses neither catalyst nor solvent.