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Benzene, 1-nitro-2-[(trifluoromethyl)thio]-, also known as 1-nitro-2-(trifluoromethylthio)benzene, is an organic compound with the chemical formula C7H4F3NO2S. It is a derivative of benzene, featuring a nitro group at the 1-position, a trifluoromethylthio group at the 2-position, and a sulfur atom bonded to the trifluoromethyl group. Benzene, 1-nitro-2-[(trifluoromethyl)thio]- is characterized by its aromatic structure, with the nitro and trifluoromethylthio substituents imparting unique chemical and physical properties. It is typically used in the synthesis of various pharmaceuticals, agrochemicals, and other specialty chemicals due to its reactive functional groups and potential for further chemical modification.

1644-87-7

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1644-87-7 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1644-87-7 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,6,4 and 4 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 1644-87:
(6*1)+(5*6)+(4*4)+(3*4)+(2*8)+(1*7)=87
87 % 10 = 7
So 1644-87-7 is a valid CAS Registry Number.

1644-87-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 19, 2017

Revision Date: Aug 19, 2017

1.Identification

1.1 GHS Product identifier

Product name 1-nitro-2-(trifluoromethylsulfanyl)benzene

1.2 Other means of identification

Product number -
Other names (2-nitrophenyl)(trifluoromethyl)sulfane

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:1644-87-7 SDS

1644-87-7Relevant academic research and scientific papers

THE INTRODUCTION OF SCF3 INTO AROMATIC SUBSTRATES USING CuSCF3 AND ALUMINA-SUPPORTED CuSCF3

Clark, James H.,Craig, W. Jones,Kybett, Adrian P.,McClinton, Martin A.,Miller, Jack M.,et al.

, p. 249 - 255 (1990)

Trifluoromethylthiocopper(I) has been readily prepared from the silver analogue, using a metathetical reaction with copper(I) bromide.Homogeneous CuSCF3 and the supported reagent CuSCF3-alumina have been compared in their reactivity towards aryl iodides, in order to form trifluoromethylaryl sulphides in good yields.

Method for synthesizing nitro (hetero) aromatic hydrocarbon

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Paragraph 0082-0084; 0088-0090, (2022/04/08)

The invention discloses a method for synthesizing nitro (hetero) aromatic hydrocarbon, and belongs to the field of organic synthesis. According to the method, simple (hetero) aromatic hydrocarbon is taken as an initial raw material and is stirred and reacted in an organic solvent at 40-100 DEG C under the action of a nitration reagent, a lewis acid catalyst and protective gas, and nitro (hetero) aromatic hydrocarbon can be obtained. The method provided by the invention has the advantages of cheap and easily available raw materials, mild reaction conditions, simple preparation process, good chemical selectivity, wide substrate application range, easy amplification and the like, has great application potential, and lays a good foundation for industrial production.

Transition-Metal-Free Synthesis of Aryl Trifluoromethyl Thioethers through Indirect Trifluoromethylthiolation of Sodium Arylsulfinate with TMSCF3

Zheng, Changge,Jiang, Chao,Huang, Shuai,Zhao, Kui,Fu, Yingying,Ma, Mingyu,Hong, Jianquan

supporting information, p. 6982 - 6986 (2021/09/08)

Herein, we report an indirect trifluoromethylthiolation of sodium arylsulfinates. This transition-metal-free reaction significantly provides an environmentally friendly and practical synthetic method for aryl trifluoromethyl thioethers using commercial Ruppert-Prakash reagent TMSCF3. This approach is also a potential alternative to the current industrial production method owing to facile substrates, excellent functional group compatibility, and operational simplicity.

Copper(I)-promoted trifluoromethylthiolation of arenediazonium salts with AgSCF3

Zheng, Changge,Liu, Yang,Hong, Jianquan,Huang, Shuai,Zhang, Wei,Yang, Yupeng,Fang, Ge

supporting information, p. 1404 - 1407 (2019/05/01)

An efficient method for trifluoromethylthiolation of arenediazonium salts has been developed in mild conditions with a stable and convenient AgSCF3. It provides a straightforward and convenient way for the synthesis of trifluoromethylthiolated compound from diazonium salts in moderate to good yields.

Method for producing 4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide

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Paragraph 0031, (2019/07/04)

The invention provides a method for producing 4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide. 2-nitroaniline is used as an initial raw material, is subjected to diazotization reaction, trifluoromethyl sulfonation reaction, fluoronation, chlorosulfonation reaction, and is reacted with ammonium hydroxide to finally produce the 4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide. Comparedwith reported synthesis methods, the method for producing the 4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide has the advantages that the reaction yield of the synthesis route is high, used reaction agents are economic and easy to obtain, reaction conditions are mild and controllable, and in a reaction process, column chromatography and purification are not needed, so that the method for producing the 4-fluoro-3-(trifluoromethylsulfonyl)benzenesulfonamide has wide commercial application prospects.

Iron-Catalyzed Decarboxylation of Trifluoroacetate and Its Application to the Synthesis of Trifluoromethyl Thioethers

Exner, Benjamin,Bayarmagnai, Bilguun,Jia, Fan,Goossen, Lukas J.

, p. 17220 - 17223 (2016/01/25)

Nucleophilic CF3 has been generated by decarboxylation of potassium trifluoroacetate, arguably the most easy-to-handle, inexpensive, and sustainable source of trifluoromethyl groups. Simple iron(II) chloride catalyzes the decarboxylation as well as a subsequent trifluoromethylation of organothiocyanates, resulting in a straightforward synthesis of trifluoromethyl thioethers. The KCN byproduct is absorbed by iron(II) with formation of nontoxic potassium hexacyanoferrate. An analogous trifluoromethylation of aldehydes with trifluoroacetate underlines the synthetic potential of such iron-catalyzed decarboxylative trifluoromethylations.

Copper-Catalyzed Trifluoromethylthiolation of Di(hetero)aryl-λ3-iodanes: Mechanistic Insight and Application to Synthesis of (Hetero)Aryl Trifluoromethyl Sulfides

Saravanan, Perumal,Anbarasan, Pazhamalai

supporting information, p. 3521 - 3528 (2016/01/25)

The direct and regioselective copper/S-Phos-catalyzed trifluoromethylthiolation of symmetrical and unsymmetrical di(hetero)aryl-λ3-iodanes has been accomplished for the synthesis of various (hetero)aryl trifluoromethyl sulfides employing readily accessible silver trifluoromethylthiolate (AgSCF3) as nucleophilic trifluoromethylthiolating reagent. The developed transformation tolerates various functional groups like nitrile, enolizable ketone, ester, nitro and free carboxylic acid. Interestingly, the formal trifluoromethylthiolation of arenes was also achieved through integration of the synthesis of diaryl-λ3-iodanes from arenes with the trifluoromethylthiolation. Mechanistic investigations did not favor the radical formation and SET pathway. Based on the variable temperature 19F NMR spectroscopy, isolation of the most relevant catalytic intermediate, and stoichiometric studies supported the Cu(I)/Cu(III) catalytic cycle, wherein the oxidative addition of diaryl-λ3-iodanes was assisted by the silver salt.

Copper-catalyzed synthesis of aryl and alkyl trifluoromethyl sulfides using CF3SiMe3and Na2S2O3as -SCF3source

Zhong, Wei,Liu, Xiaoming

supporting information, p. 4909 - 4911 (2014/12/10)

A universal and efficient Cu(I)-catalyzed synthesis of aryl and alkyl trifluoromethyl sulfides has been developed. In this catalytic system, S-aryl or S-alkyl sulfothioate (I or II) proved to be the key intermediate. Substrates bearing groups of I, Br, Cl, OTs, and OMs on the aryl carbon and no matter electron-withdrawing and electron-donating substitutions on the aromatic ring could afford good to excellent yields.

Profiling small molecule inhibitors against helix-receptor interactions: The Bcl-2 family inhibitor BH3I-1 potently inhibits p53/hDM2

Porter, Jason R.,Helmers, Mark R.,Wang, Ping,Furman, Jennifer L.,Joy, Stephen T.,Arora, Paramjit S.,Ghosh, Indraneel

supporting information; experimental part, p. 8020 - 8022 (2011/01/03)

We validate a practical methodology for the rapid profiling of small molecule inhibitors of protein-protein interactions. We find that a well known BH3 family inhibitor can potently inhibit the p53/hDM2 interaction.

An efficient synthesis of ABT-263, a novel inhibitor of antiapoptotic Bcl-2 proteins

Wang, Guangjun,Zhang, Hushan,Zhou, Jing,Ha, Chengyong,Pei, Duanqing,Ding, Ke

experimental part, p. 2398 - 2404 (2009/04/07)

ABT-263, a newly developed Bcl-2 inhibitor, was efficiently synthesized. The key intermediates 4-(4-{[2-(4-chlorophenyl)-5,5-dimethylcyclohex-1-enyl] methyl}piperazin-1-yl)benzoic acid and 4-fluoro-3-[(trifluoromethyl)sulfonyl] benzenesulfonamide were eff

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