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3-Methylphenyl (trifluoromethyl) sulfide, also known as 3-methylbenzenesulfonyl fluoride or α,α,α-trifluorotoluene-3-sulfide, is an organic compound with the chemical formula C8H7F3S. It is a colorless liquid with a pungent odor and is soluble in organic solvents. 3-Methylphenyl (trifluoromethyl) sulfide is a valuable intermediate in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals due to its unique reactivity and stability. It is used as a reagent in the preparation of sulfonamides, sulfonates, and other sulfur-containing compounds. The compound is also known for its potential applications in the field of materials science, particularly in the development of new polymers and coatings. It is important to handle this chemical with care due to its potential toxicity and reactivity.

705-46-4

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705-46-4 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 705-46-4 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 7,0 and 5 respectively; the second part has 2 digits, 4 and 6 respectively.
Calculate Digit Verification of CAS Registry Number 705-46:
(5*7)+(4*0)+(3*5)+(2*4)+(1*6)=64
64 % 10 = 4
So 705-46-4 is a valid CAS Registry Number.

705-46-4SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-Trifluormethylmercapto-toluol

1.2 Other means of identification

Product number -
Other names -

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:705-46-4 SDS

705-46-4Relevant academic research and scientific papers

Metal-free trifluoromethylthiolation of arenediazonium salts with Me4NSCF3

Bertoli, Giulia,Exner, Benjamin,Evers, Mathies V.,Tschulik, Kristina,Goo?en, Lukas J.

, p. 132 - 136 (2018/04/05)

A metal-free entry to the pharmaceutically meaningful substrate class of trifluoromethyl thioethers has been developed starting from widely available arenediazonium salts and commercially available Me4N+SCF3?. This reaction proceeds within one hour at 0 °C and is applicable to a wide range of functionalized substrates.

Silver-catalyzed fluoroalkylation of thiols using fluoroalkanesulfinates

Ma, Jing-jing,Liu, Qi-ran,Lu, Guo-ping,Yi, Wen-bin

supporting information, p. 113 - 117 (2017/01/03)

A practical sliver-catalyzed fluoroalkylation of aryl-, heteroaryl- and alkylthiols has been developed. The reaction has a good functional-group tolerance and excellent selectivity. A variety of stable and solid fluoroalkanesulfinates including di- and perfluoroalkanesulfinates can be employed. This methodology provides a straightforward and streamlined access to perfluoroalkylthiolated organic molecules. [Figure presented]

Copper-Mediated Oxidative Trifluoromethylthiolation of Potassium Aryltrifluoroborates with Elemental Sulfur and Ruppert-Prakash Reagent

Dubbaka, Srinivas Reddy,Atthunuri, Azmi Reddy,Prakash, Koraboina Chandra,Rangabashyam, Prabhu,Gadde, Satyanarayana,Kothandaraman, Rajesh

supporting information, p. 1246 - 1252 (2016/05/09)

A facile procedure for the copper-mediated oxidative trifluoromethylthiolation of potassium aryl- and heteroaryltrifluoroborates with Ruppert-Prakash reagent and elemental sulfur is presented. Aryl trifluoromethyl thioethers can be prepared in good to mod

Sandmeyer-Type Trifluoromethylthiolation and Trifluoromethylselenolation of (Hetero)Aromatic Amines Catalyzed by Copper

Matheis, Christian,Wagner, Victoria,Goossen, Lukas J.

supporting information, p. 79 - 82 (2016/01/25)

Aromatic and heteroaromatic diazonium salts were efficiently converted into the corresponding trifluoromethylthio- or selenoethers by reaction with Me4NSCF3 or Me4NSeCF3, respectively, in the presence of catalytic amounts of copper thiocyanate. These Sandmeyer-type reactions proceed within one hour at room temperature, are applicable to a wide range of functionalized molecules, and can optionally be combined with the diazotizations into one-pot protocols.

Sandmeyer trifluoromethylthiolation of arenediazonium salts with sodium thiocyanate and Ruppert-Prakash reagent

Danoun, Gregory,Bayarmagnai, Bilguun,Gruenberg, Matthias F.,Goossen, Lukas J.

, p. 1312 - 1316 (2014/03/21)

In the presence of copper thiocyanate, sodium thiocyanate and the inexpensive, easy-to-use trifluoromethylating reagent Me3Si-CF 3, diazonium salts are smoothly converted into the corresponding aryl trifluoromethyl thioethers. Combin

A mild and fast photocatalytic trifluoromethylation of thiols in batch and continuous-flow

Straathof, Natan J. W.,Tegelbeckers, Bart J. P.,Hessel, Volker,Wang, Xiao,Nol, Timothy

, p. 4768 - 4773 (2015/01/09)

S-CF3 bonds are important structural motifs in various pharmaceutical and agrochemical compounds. However, their preparation remains a major challenge in synthetic organic chemistry. Here, we report the development of a mild and fast photocatalytic trifluoromethylation of thiols. The combination of commercially available Ru(bpy)3Cl2, visible light and inexpensive CF3I gas proved to be an efficient method for the direct trifluoromethylation of thiols. The protocol is demonstrated on a wide range of aromatic, hetero-aromatic and aliphatic substrates in both batch and continuous microflow (32 examples, 52-98% yield). Process intensification through continuous microflow application resulted in a 15-fold increase in production rate (0.25 mmol min-1) due to improved gas-liquid mass transfer, enhanced irradiation as well as convenient handling of the gaseous CF3 source. Furthermore, the efficiency of the flow process allowed to reduce the amount of CF3I (1.1 equivalent) to reach full conversion. This journal is

Trifluoromethylthiodediazoniation: A simple, efficient route to trifluoromethyl aryl sulfides

Adams, Dave J.,Goddard, Andrew,Clark, James H.,Macquarrie, Duncan J.

, p. 987 - 988 (2007/10/03)

Copper(I) trifluoromethanethiolate reacts with a range of diazonium salts containing electron-withdrawing groups to give the corresponding trifluoromethyl aryl sulfides in high yield; it is also possible to carry out the diazotisation and trifluoromethylthiolation in one pot directly from the anilines.

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