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2,4,6-Trifluorophenyl isothiocyanate, with the molecular formula C7H2F3NS, is a chemical compound that serves as a versatile reagent in organic synthesis. It is renowned for its strong and stable nature, which allows for the introduction of the isothiocyanate functional group into a variety of compounds. 2,4,6-TRIFLUOROPHENYL ISOTHIOCYANATE is particularly useful for the modification of different molecules in chemical reactions, making it a valuable component in the preparation of pharmaceuticals, agrochemicals, and other biologically active compounds. Furthermore, 2,4,6-Trifluorophenyl isothiocyanate is utilized as a building block in the synthesis of specialty chemicals and materials. However, due to potential health and environmental hazards, it is crucial to handle 2,4,6-TRIFLUOROPHENYL ISOTHIOCYANATE with care.

206761-91-3

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206761-91-3 Usage

Uses

Used in Pharmaceutical Industry:
2,4,6-Trifluorophenyl isothiocyanate is used as a key intermediate in the synthesis of pharmaceuticals for its ability to introduce the isothiocyanate functional group into drug molecules, enhancing their therapeutic properties and effectiveness.
Used in Agrochemical Industry:
In the agrochemical sector, 2,4,6-Trifluorophenyl isothiocyanate is employed as a reagent in the development of agrochemicals, where it contributes to the creation of compounds with improved pesticidal or herbicidal activities.
Used in Specialty Chemicals and Materials Synthesis:
2,4,6-Trifluorophenyl isothiocyanate is used as a building block for the synthesis of specialty chemicals and materials, leveraging its strong and stable nature to create compounds with unique properties for various applications.
Used in Organic Synthesis:
As a versatile reagent in organic synthesis, 2,4,6-Trifluorophenyl isothiocyanate is used for the modification of different molecules, allowing for the development of new compounds with specific functional groups and improved characteristics for research and industrial purposes.

Check Digit Verification of cas no

The CAS Registry Mumber 206761-91-3 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 2,0,6,7,6 and 1 respectively; the second part has 2 digits, 9 and 1 respectively.
Calculate Digit Verification of CAS Registry Number 206761-91:
(8*2)+(7*0)+(6*6)+(5*7)+(4*6)+(3*1)+(2*9)+(1*1)=133
133 % 10 = 3
So 206761-91-3 is a valid CAS Registry Number.
InChI:InChI=1/C7H2F3NS/c8-4-1-5(9)7(11-3-12)6(10)2-4/h1-2H

206761-91-3 Well-known Company Product Price

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  • (Code)Product description
  • CAS number
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  • Alfa Aesar

  • (L09478)  2,4,6-Trifluorophenyl isothiocyanate, 97%   

  • 206761-91-3

  • 1g

  • 1115.0CNY

  • Detail
  • Alfa Aesar

  • (L09478)  2,4,6-Trifluorophenyl isothiocyanate, 97%   

  • 206761-91-3

  • 5g

  • 4446.0CNY

  • Detail

206761-91-3SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 1,3,5-trifluoro-2-isothiocyanatobenzene

1.2 Other means of identification

Product number -
Other names 2,4,6-TRIFLUOROPHENYL ISOTHIOCYANATE

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:206761-91-3 SDS

206761-91-3Relevant academic research and scientific papers

Pyrazolopyrimidines: Potent Inhibitors Targeting the Capsid of Rhino- and Enteroviruses

Makarov, Vadim A.,Braun, Heike,Richter, Martina,Riabova, Olga B.,Kirchmair, Johannes,Kazakova, Elena S.,Seidel, Nora,Wutzler, Peter,Schmidtke, Michaela

supporting information, p. 1629 - 1634 (2015/10/06)

There are currently no drugs available for the treatment of enterovirus (EV)-induced acute and chronic diseases such as the common cold, meningitis, encephalitis, pneumonia, and myocarditis with or without consecutive dilated cardiomyopathy. Here, we report the discovery and characterization of pyrazolopyrimidines, a well-tolerated and potent class of novel EV inhibitors. The compounds inhibit the replication of a broad spectrum of EV in vitro with IC50 values between 0.04 and 0.64 μM for viruses resistant to pleconaril, a known capsid-binding inhibitor, without affecting cytochrome P450 enzyme activity. Using virological and genetics methods, the viral capsid was identified as the target of the most promising, orally bioavailable compound 3-(4-trifluoromethylphenyl)amino-6-phenylpyrazolo[3,4-d]pyrimidine-4-amine (OBR-5-340). Its prophylactic as well as therapeutic application was proved for coxsackievirus B3-induced chronic myocarditis in mice. The favorable pharmacokinetic, toxicological, and pharmacodynamics profile in mice renders OBR-5-340 a highly promising drug candidate, and the regulatory nonclinical program is ongoing. Curing the common cold! A cluster of pyrazolopyrimidines with potent broad-spectrum activity against enteroviruses was discovered. Extensive structure-property relationship analyses led to the identification of 3-(4-trifluoromethyl-phenyl)amino-6-phenylpyrazolo[3,4-d]pyrimidine-4-amine, shown to be a blocker of the viral capsid protein, as a lead compound for drug development with favorable physicochemical, pharmacokinetic, and toxicological properties.

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