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3-(TRIFLUOROMETHYLTHIO)BROMOBENZENE, with the molecular formula C7H4BrF3S, is a brominated benzene derivative featuring a trifluoromethylthio group attached to the benzene ring. This chemical compound is known for its colorless to pale yellow liquid state at room temperature and is recognized as a versatile building block in various organic synthesis processes.

2252-45-1

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2252-45-1 Usage

Uses

Used in Pharmaceutical Industry:
3-(TRIFLUOROMETHYLTHIO)BROMOBENZENE is used as a key intermediate in the synthesis of pharmaceuticals for its ability to contribute to the development of novel drug molecules with potential therapeutic applications.
Used in Agrochemical Industry:
In the agrochemical sector, 3-(TRIFLUOROMETHYLTHIO)BROMOBENZENE is utilized as a building block for the creation of new agrochemicals, enhancing crop protection and yield through targeted pest control.
Used in Material Science:
3-(TRIFLUOROMETHYLTHIO)BROMOBENZENE is employed as a component in the synthesis of advanced materials, leveraging its chemical structure to improve material properties such as stability and performance in various applications.
Used in Dye and Pigment Production:
3-(TRIFLUOROMETHYLTHIO)BROMOBENZENE is also used as a precursor in the production of dyes and pigments, where its unique properties contribute to the color intensity and stability of the final products.
It is important to handle 3-(TRIFLUOROMETHYLTHIO)BROMOBENZENE with care due to its flammable and corrosive nature, ensuring proper safety measures are in place during its use in research and industrial applications.

Check Digit Verification of cas no

The CAS Registry Mumber 2252-45-1 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 2,2,5 and 2 respectively; the second part has 2 digits, 4 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 2252-45:
(6*2)+(5*2)+(4*5)+(3*2)+(2*4)+(1*5)=61
61 % 10 = 1
So 2252-45-1 is a valid CAS Registry Number.

2252-45-1SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 20, 2017

Revision Date: Aug 20, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-bromo-3-(trifluoromethylsulfanyl)benzene

1.2 Other means of identification

Product number -
Other names 3-bromophenyl trifluoromethyl sulphide

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:2252-45-1 SDS

2252-45-1Relevant academic research and scientific papers

Blue Phosphorescence with High Quantum Efficiency Engaging the Trifluoromethylsulfonyl Group to Iridium Phenylpyridine Complexes

Kim, Jin-Hyoung,Kim, So-Yoen,Jang, Seol,Yi, Seungjun,Cho, Dae Won,Son, Ho-Jin,Kang, Sang Ook

, p. 16112 - 16125 (2019)

Incorporation of an electron-withdrawing -SO2CF3 substituent to cyclometalating C^N-phenylpyridine (ppy) ligand resulted in an expected blue-shifted phosphorescence in the corresponding homoleptic Ir(ppySCF3)3 c

DOCK1-INHIBITING COMPOUND AND USE THEREOF

-

, (2021/10/07)

Provided is a compound that is usable as an active ingredient of an anticancer agent. Preferably provided is a compound that has DOCK1-inhibiting activity and exerts an anticancer effect based on the activity. A compound represented by the following formula (A) or a salt thereof: wherein X represents a carbon atom or a nitrogen atom; Y represents an oxygen atom, a hydroxy group, or a hydrocarbon group; R1 and R2 are different, and each represents a hydrogen atom or a group represented by the following formula (A-1): (wherein R6 represents a pyrrolidino group or a phenyl group, and n2 is 0 or 1) ; R3 represents -CO-R7 (wherein R7 is an alkoxy group, an alkyl group, or an alkylamino group), a 1,3-oxazole group, an alkylhydroxy group, a hydrogen atom, or an oxygen atom; R4 represents a hydrogen atom, an oxygen atom, or a hydrocarbon group in which one or more hydrogen atoms may be replaced by one or more substituents; R5 represents a halogen atom, a halogenated alkyl group, or a halogenated alkylthio group; and n1 is an integer of 0 to 5; and

Metal-Free Trifluoromethylthiolation of Arylazo Sulfones

Li, Ankun,Li, Yuxuan,Liu, Junjie,Chen, Jingqi,Lu, Kui,Qiu, Di,Fagnoni, Maurizio,Protti, Stefano,Zhao, Xia

, p. 1292 - 1299 (2021/01/14)

A visible-light-driven protocol for the synthesis of aryl trifluoromethyl thioethers under photocatalyst- and metal-free conditions has been pursued. The procedure exploits the peculiar properties of arylazo sulfones (having electron-rich or electron-poor substituents on the (hetero)aromatic ring) as photochemical precursors of aryl radicals and S-trifluoromethyl arylsulfonothioates as easy-to-handle trifluoromethylthiolating agents.

Perfluoroalkylation of Thiosulfonates: Synthesis of Perfluoroalkyl Sulfides

Luo, Ziwei,Yang, Xinkan,Tsui, Gavin Chit

supporting information, p. 6155 - 6159 (2020/07/30)

A practical synthesis of perfluoroalkyl sulfides is described. The method employs stable and readily accessible thiosulfonates as new electrophiles with commercial nucleophilic perfluoroalkylating reagents. The mild reaction conditions allow access to a wide variety of both aryl- and alkyl-substituted perfluoroalkyl sulfides amenable to pharmaceutical development. Furthermore, the reaction operation is straightforward, odorless, does not produce toxic wastes, and, therefore should appeal to practitioners in industrial-scale productions.

Fluorodecarboxylation: Synthesis of aryl trifluoromethyl ethers (ArOCF3) and thioethers (ArSCF3)

Krishanmoorthy, Sankarganesh,Schnell, Simon D.,Dang, Huong,Fu, Fang,Prakash, G.K. Surya

, p. 130 - 135 (2017/09/06)

Fluorodecarboxylation of aryloxydifluoroacetic acid (ArOCF2CO2H) and arylmercaptodifluoroacetic acid (ArSCF2CO2H) towards ArXCF3 (X = O, S) using silver (I) salts in the presence of Selectfluor in a biphasic system with trifluoroacetic acid additive is discussed.

Recent advances in electrophilic CF3-transfer using hypervalent iodine(III) reagents

Kieltsch, Iris,Eisenberger, Patrick,Stanek, Kyrill,Togni, Antonio

scheme or table, p. 260 - 263 (2009/04/07)

The development of new methodologies for an efficient introduction of CF3 groups into complex molecules constitutes one of the most challenging tasks of modern organic chemistry. Recently, we reported the access to a new class of electrophilic CF3-transfer reagents based on hypervalent iodine. The versatile application of these reagents to C-centred nucleophiles, such as β-keto esters, silyl enol ethers and α-nitro esters, as well as to thiols and primary and secondary phosphines is described. Experiments with phenols afforded corresponding trifluomethylethers in very low yields. Schweizerische Chemische Gesellschaft.

Mild electrophilic trifluoromethylation of carbon- and sulfur-centered nucleophiles by a hypervalent iodine(III)-CF3 reagent

Kieltsch, Iris,Eisenberger, Patrick,Togni, Antonio

, p. 754 - 757 (2007/10/03)

Inexpensive, recyclable, and activable: these are the features of a new mild electrophilic trifluoromethylation reagent that can be used to transfer a CF3 group to C-centered nucleophiles, such as β-keto esters and α-nitro esters, and to S-centered nucleophiles (see scheme). (Chemical Equation Presented).

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