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2-(Trifluoromethoxy)benzyl bromide, with the chemical formula C8H6BrF3O, is a colorless liquid that serves as a crucial intermediate in organic synthesis. It is highly reactive and functions as a versatile building block in the creation of a variety of chemical compounds, particularly in the pharmaceutical and agrochemical industries. Due to its strong reactivity, it is recognized as a valuable reagent in chemical reactions. However, it is also considered toxic, necessitating careful handling and adherence to safety protocols.

198649-68-2

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198649-68-2 Usage

Uses

Used in Pharmaceutical Industry:
2-(Trifluoromethoxy)benzyl bromide is used as a synthetic intermediate for the development of various pharmaceutical compounds. Its reactivity allows for the creation of new molecules with potential therapeutic applications, contributing to the advancement of drug discovery and design.
Used in Agrochemical Industry:
In the agrochemical sector, 2-(Trifluoromethoxy)benzyl bromide is utilized as a key component in the synthesis of pesticides and other agrochemical products. Its role in creating effective and innovative compounds aids in enhancing crop protection and management strategies.
Used as a Versatile Reagent:
2-(Trifluoromethoxy)benzyl bromide is employed as a versatile reagent in various chemical reactions. Its strong reactivity enables the formation of new chemical entities, broadening the scope of chemical research and development across different industries.

Check Digit Verification of cas no

The CAS Registry Mumber 198649-68-2 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,9,8,6,4 and 9 respectively; the second part has 2 digits, 6 and 8 respectively.
Calculate Digit Verification of CAS Registry Number 198649-68:
(8*1)+(7*9)+(6*8)+(5*6)+(4*4)+(3*9)+(2*6)+(1*8)=212
212 % 10 = 2
So 198649-68-2 is a valid CAS Registry Number.
InChI:InChI=1/C8H6BrF3O/c9-5-6-3-1-2-4-7(6)13-8(10,11)12/h1-4H,5H2

198649-68-2 Well-known Company Product Price

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  • (Code)Product description
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  • TCI America

  • (T2311)  2-(Trifluoromethoxy)benzyl Bromide  >98.0%(GC)

  • 198649-68-2

  • 1g

  • 490.00CNY

  • Detail
  • TCI America

  • (T2311)  2-(Trifluoromethoxy)benzyl Bromide  >98.0%(GC)

  • 198649-68-2

  • 5g

  • 1,450.00CNY

  • Detail
  • Alfa Aesar

  • (B23567)  2-(Trifluoromethoxy)benzyl bromide, 97%   

  • 198649-68-2

  • 1g

  • 533.0CNY

  • Detail
  • Alfa Aesar

  • (B23567)  2-(Trifluoromethoxy)benzyl bromide, 97%   

  • 198649-68-2

  • 5g

  • 1972.0CNY

  • Detail

198649-68-2SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 11, 2017

Revision Date: Aug 11, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-(bromomethyl)-2-(trifluoromethoxy)benzene

1.2 Other means of identification

Product number -
Other names 1-(Bromomethyl)-2-(trifluoromethoxy)benzene

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:198649-68-2 SDS

198649-68-2Relevant academic research and scientific papers

Para-Selective C-H Borylation of Common Arene Building Blocks Enabled by Ion-Pairing with a Bulky Countercation

Mihai, Madalina T.,Williams, Benjamin D.,Phipps, Robert J.

supporting information, p. 15477 - 15482 (2019/10/11)

The selective functionalization of C-H bonds at the arene para position is highly challenging using transition metal catalysis. Iridium-catalyzed borylation has emerged as a leading technique for arene functionalization, but there are only a handful of strategies for para-selective borylation, which operate on specific substrate classes and use bespoke ligands or catalysts. We describe a remarkably general protocol which results in para-selectivity on some of the most common arene building blocks (anilines, benzylamines, phenols, benzyl alcohols) and uses standard borylation ligands. Our strategy hinges upon the facile conversion of the substrates into sulfate or sulfamate salts, wherein the anionic arene component is paired with a tetrabutylammonium cation. We hypothesize that the bulk of this cation disfavors meta-C-H borylation, thereby promoting the challenging para-selective reaction.

RORγ MODULATORS

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Page/Page column 21; 38-39; 66, (2018/04/13)

The invention provides an RORγ receptor agonist comprising a compound of formula (I), wherein the variables are as defined herein. These compounds are analogous to known RORγ receptor antagonists. The invention further provides a method of activating -the nuclear receptor RORγ, comprising -contacting the RORγ with an effective amount or concentration of a compound of the invention; and a method of treating cancer in a patient, comprising administering to the patient an effective dose of a compound of the invention.

N-Arylsulfonyl Indolines as Retinoic Acid Receptor-Related Orphan Receptor γ (RORγ) Agonists

Doebelin, Christelle,Patouret, Rémi,Garcia-Ordonez, Ruben D.,Chang, Mi Ra,Dharmarajan, Venkatasubramanian,Kuruvilla, Dana S.,Novick, Scott J.,Lin, Li,Cameron, Michael D.,Griffin, Patrick R.,Kamenecka, Theodore M.

supporting information, p. 2607 - 2620 (2016/12/09)

The nuclear retinoic acid receptor-related orphan receptor γ (RORγ; NR1F3) is a key regulator of inflammatory gene programs involved in T helper 17 (TH17) cell proliferation. As such, synthetic small-molecule repressors (inverse agonists) targeting RORγ have been extensively studied for their potential as therapeutic agents for various autoimmune diseases. Alternatively, enhancing TH17 cell proliferation through activation (agonism) of RORγ may boost an immune response, thereby offering a potentially new approach in cancer immunotherapy. Herein we describe the development of N-arylsulfonyl indolines as RORγ agonists. Structure–activity studies reveal a critical linker region in these molecules as the major determinant for agonism. Hydrogen/deuterium exchange coupled to mass spectrometry (HDX-MS) analysis of RORγ–ligand complexes help rationalize the observed results.

Tocolytic oxytocin receptor antagonists

-

, (2008/06/13)

This invention relates to certain novel benzoxazinone compounds and derivatives thereof, their synthesis, and their use as oxytocin receptor antagonists. One application of these compounds is in the treatment of preterm labor in mammals, especially humans. The ability of the compounds to relax uterine contractions in mammals also makes them useful for treating dysmenorrhea and stopping labor prior to cesarean delivery.

PIPERAZINE OXYTOCIN RECEPTOR ANTAGONISTS

-

, (2008/06/13)

This invention relates to certain novel piperazine compounds and derivatives thereof, their synthesis, and their use as oxytocin receptor antagonists. One application of these compounds is in the treatment of preterm labor in mammals, especially humans. The ability of the compounds to relax uterine contractions in mammals also makes them useful for treating dysmenorrhea and stopping labor prior to cesarean delivery.

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