25697-55-6

Basic information

• Product Name: 3-(TRIFLUOROMETHYL)BENZYL MERCAPTAN
• Synonyms: 3-(Trifluoromethyl)toluene-alpha-thiol;3-(Trifluoromethyl)benzylthiol, tech;3--Trifluoromethyl-phenyl-methaneth;3-(TRIFLUOROMETHYL)BENZYL MERCAPTAN;3-(TRIFLUOROMETHYL)BENZYL THIOL;[3-(TRIFLUOROMETHYL)PHENYL]METHANETHIOL;3-(Trifluoromethyl)-alpha-toluenethiol;3-(trifluoromethyl)-à-toluenethiol
• CAS NO: 25697-55-6
• Molecular Formula: C₈H₇F₃S
• Molecular Weight: 192.2
• Mol File: 25697-55-6.mol

Chemical Properties

• Boiling Point: 79 °C
• Flash Point: 75-77°C/5mm
• Appearance: /
• Density: 1.253 g/cm³
• Vapor Pressure: 0.53mmHg at 25°C
• Refractive Index: 1.49
• PKA: 9.47±0.25(Predicted)
• Sensitive: Stench
• BRN: 2520097
• CAS DataBase Reference: 3-(TRIFLUOROMETHYL)BENZYL MERCAPTAN(CAS DataBase Reference)
• NIST Chemistry Reference: 3-(TRIFLUOROMETHYL)BENZYL MERCAPTAN(25697-55-6)
• EPA Substance Registry System: 3-(TRIFLUOROMETHYL)BENZYL MERCAPTAN(25697-55-6)

Safety Data

• Hazard Codes: Xi
• Statements: 20/21/22
• Safety Statements: 23-36/37
• RIDADR: 2810
• HazardClass: 6.1
• PackingGroup: III
• Hazardous Substances Data: 25697-55-6(Hazardous Substances Data)

Usage

Uses

Used in Organic Synthesis:
3-(TRIFLUOROMETHYL)BENZYL MERCAPTAN is used as a reagent in organic synthesis for the production of pharmaceuticals and agrochemicals. Its chemical structure allows it to act as a key intermediate in the synthesis of various organic compounds, contributing to the development of new drugs and agricultural products.
Used in the Food Industry:
In the food industry, 3-(TRIFLUOROMETHYL)BENZYL MERCAPTAN is used as a flavoring agent. Its strong odor profile can be harnessed to create unique flavor profiles in food products, enhancing the sensory experience for consumers.
Used in Gas Pipelines:
3-(TRIFLUOROMETHYL)BENZYL MERCAPTAN is used as an odorant in gas pipelines to detect leaks. Its strong and distinctive smell makes it an effective tool for identifying gas leaks, ensuring the safety of both personnel and the surrounding environment.
Safety Considerations:

InChI:InChI=1/C8H7F3S/c9-8(10,11)7-3-1-2-6(4-7)5-12/h1-4,12H,5H2

Upstream product

• 705-29-3 3-Trifluoromethylbenzyl chloride 
• 792843-57-3 2-(3-Trifluoromethyl-benzyl)-isothiourea 

Downstream Products

• 75155-59-8 hexakis-(3-trifluoromethylbenzylthiomethyl)benzene 
• 124880-18-8 1-[(4-chlorobutyl)thiomethyl]-3-trifluoromethylbenzene 
• 454-89-7 3-Trifluoromethylbenzaldehyde 

Relevant articles and documents

Synthesis and Biological Activity of trans-(+/-)-N-Methyl-2-(3-pirydyl)-2-tetrahydrothiopyrancarbothioamide 1-Oxide (RP 49356) and Analogues: A New Class of Potassium Channel Opener

The synthesis and biological activity of trans-(+/-)-N-methyl-2-(3-pyridyl)-2-tetrahydrothiopyrancarbothioamide 1-oxide (8a, RP 49356) and analoques is reported.These compounds constitute a new structural class of K+-channel opener.The effects of changes in the pyridyl group, thioamide, and thiane ring on in vitro K+-channel opening activity are discussed.A 3-pyridyl or 3-quinolyl group, a small N-alkyl thioamide function, and a thiane oxide ring, in which the sulfoxide is in a trans relationship to thioamide, are preferred for activity.Selected compounds were tested intravenously in the normotensive anaesthetized rat for hypotensive effects, and the activities reflect their in vitro K+-channel opening activity.This led to further evaluation of compound 8a and the selection of the (-)-enantiomer 8b (RP 52891) for development as an antihypertensive and antianginal agent.

Sulfur-containing imidazoles

Novel imidazole mercaptals of the formula STR1 wherein each m is independently zero or one; and R1 and R2 each are independently selected from (lower)alkyl, cycloalkyl, cycloalkyl(lower)alkyl, phenyl, phenyl(lower)alkyl, thienyl, thienyl(lower)alkyl, pyridyl and pyridyl(lower)alkyl, in which the phenyl and heterocyclic rings optionally may contain from 1 to 3 substituents, and acid addition salts thereof, are useful antimicrobial agents.

2-Pyridinecarboxylic acids

5-Etherified 2-pyridinecarboxylic acids, e.g. those of the formula STR1 or functional derivatives thereof, are hypotensive agents.

2-Pyridinecarbonitrile compounds

5-Etherified 2-pyridinecarboxylic acids, e.g. those of the formula STR1 R = phenyl or (alkyl, alkoxy, halogeno, CF3, CN, CONH2 or NH2)-phenyl R' = H or carboxy X = O or S, m = 1-4 or functional derivative thereof, are hypotensive agents.

5-Sulfinyl-2-pyridinecarboxylic acids

5-Sulfinyl-2-pyridinecarboxylic acids, e.g. those of the formula STR1 OR FUNCTIONAL DERIVATIVES THEREOF, ARE HYPOTENSIVE AGENTS.