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N-(4-fluorophenyl)benzenecarbothioamide is an organic compound with the chemical formula C13H10FNS. It is a derivative of benzenecarbothioamide, featuring a 4-fluorophenyl group attached to the nitrogen atom. N-(4-fluorophenyl)benzenecarbothioamide is characterized by its aromatic structure, with a benzene ring connected to another benzene ring through a thioamide linkage. The presence of the fluorine atom in the 4-position of the phenyl group introduces a degree of electronegativity, which can influence the compound's reactivity and physical properties. It is a white crystalline solid and is used in the synthesis of various pharmaceuticals and agrochemicals due to its potential biological activity. The compound's specific applications and properties are determined by its ability to form hydrogen bonds and its interaction with other molecules, making it a valuable intermediate in the development of new chemical entities.

1629-25-0

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1629-25-0 Usage

Check Digit Verification of cas no

The CAS Registry Mumber 1629-25-0 includes 7 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 4 digits, 1,6,2 and 9 respectively; the second part has 2 digits, 2 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 1629-25:
(6*1)+(5*6)+(4*2)+(3*9)+(2*2)+(1*5)=80
80 % 10 = 0
So 1629-25-0 is a valid CAS Registry Number.

1629-25-0SDS

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 N-(4-fluorophenyl)benzenecarbothioamide

1.2 Other means of identification

Product number -
Other names N-(4-fluorophenyl)benzo-thioamide

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:1629-25-0 SDS

1629-25-0Relevant academic research and scientific papers

Unveiling photodeactivation pathways for a new iridium(III) cyclometalated complex

Escudero, Daniel,Heuser, Eike,Meier, Robert J.,Schaeferling, Michael,Thiel, Walter,Holder, Elisabeth

, p. 15639 - 15644 (2013)

We report the synthesis and characterization of a neutral heteroleptic IrIII complex bearing 6-fluoro-2-phenylbenzo[d]thiazole as cyclometalating ligand and (Z)-6-(9H-carbazol-9-yl)-5-hydroxy-2,2-dimethylhex-4- en-3-one as ancillary ligand. The

Visible-Light Carbon Nitride-Catalyzed Aerobic Cyclization of Thiobenzanilides under Ambient Air Conditions

Bai, Jin,Yan, Sijia,Zhang, Zhuxia,Guo, Zhen,Zhou, Cong-Ying

supporting information, p. 4843 - 4848 (2021/06/28)

A metal-free heterogeneous photocatalysis has been developed for the synthesis of benzothiazoles via intramolecular C-H functionalization/C-S bond formation of thiobenzanilides by inexpensive graphitic carbon nitride (g-C3N4) under visible-light irradiation. This reaction provides access to a broad range of 2-substituted benzothiazoles in high yields under an air atmosphere at room temperature without addition of a strong base or organic oxidizing reagents. In addition, the catalyst was found to be stable and reusable after five reaction cycles.

Exogenous Photosensitizer-, Metal-, and Base-Free Visible-Light-Promoted C-H Thiolation via Reverse Hydrogen Atom Transfer

Xu, Ze-Ming,Li, Hong-Xi,Young, David James,Zhu, Da-Liang,Li, Hai-Yan,Lang, Jian-Ping

supporting information, p. 237 - 241 (2019/01/10)

Visible-light-driven, intramolecular C(sp2)-H thiolation has been achieved without addition of a photosensitizer, metal catalyst, or base. This reaction induces the cyclization of thiobenzanilides to benzothiazoles. The substrate absorbs visible light, and its excited state undergoes a reverse hydrogen-atom transfer (RHAT) with 2,2,6,6-tetramethylpiperidine N-oxyl to form a sulfur radical. The addition of the sulfur radical to the benzene ring gives an aryl radical, which then rearomatizes to benzothiazole via RHAT.

Transition metal-free α-Csp3-H oxidative sulfuration of benzyl thiosulfates with anilines to form N-aryl thioamides

Qiao, Mengjun,Zhang, Jinli,Chen, Ling,Zhou, Fengyi,Zhang, Yali,Zhou, Lingfei,Wu, Yangjie

supporting information, p. 3790 - 3796 (2019/04/17)

A metal-free approach to N-aryl thioamides from Bunte salts and anilines in DMSO has been developed. This method tolerated a wide range of functional groups on the aromatic ring, providing an ideal way to N-aryl thioamides in good to excellent yields from cheap and easily available starting materials. A plausible mechanism was also proposed based on the X-ray single crystal diffraction, NMR and MS analyses of DMSO-concerning intermediates.

Organocatalytic syntheses of benzoxazoles and benzothiazoles using aryl iodide and oxone via C-H functionalization and C-O/S bond formation

Alla, Santhosh Kumar,Sadhu, Pradeep,Punniyamurthy, Tharmalingam

, p. 7502 - 7511 (2014/09/16)

An organocatalytic protocol for the syntheses of 2-substituted benzoxazoles and benzothiazoles is described from alkyl-/arylanilides and alkyl-/arylthioanilides using 1-iodo-4-nitrobenzene as catalyst and oxone as an inexpensive and environmentally safe terminal oxidant at room temperature in air via oxidative C-H functionalization and C-O/S bond formation. The procedure is simple and general and provides an effective route for the construction of functionalized 2-alkyl-/arylbenzoxazoles and 2-alkyl-/arylbenzothiazoles with moderate to high yields. The synthetic and mechanistic aspects have been described.

Synthesis of thioamides by catalyst-free three-component reactions in water

Xu, Hualong,Deng, Hang,Li, Zhengkai,Xiang, Haifeng,Zhou, Xiangge

supporting information, p. 7054 - 7057 (2013/11/06)

Three-component reactions involving amines, aldehydes, and elemental sulfur powder are reported to afford thioamides in a simple one-pot procedure in the absence of a catalyst. A variety of thioamides can be obtained in good to excellent yields up to 88 %. Three-component reactions involving amines, aldehydes, and sulfur powder afford thioamides in a simple one-pot procedure. A variety of substituted thioamides are obtained in good to excellent yields up to 88 %. Copyright

Homoleptic tris-cyclometalated iridium complexes with 2-phenylbenzothiazole ligands for highly efficient orange OLEDs

Wang, Renjie,Liu, Di,Ren, Huicai,Zhang, Ting,Wang, Xinzeng,Li, Jiuyan

scheme or table, p. 15494 - 15500 (2012/01/17)

Homoleptic tris-cyclometalated iridium(iii) complexes containing 2-phenylbenzothiazole derivatives as ligands have been successfully synthesized and characterized for the first time. Electron-donating (CH3, OCH3) and -withdrawing groups (F) were introduced into the 6-position of the benzothiazole moiety in the ligands to verify their influence on the optical and electronic properties of the complexes. Organic light-emitting diodes using these iridium complexes as doped emitters exhibited orange electrophosphorescence with excellent performances. An extremely high brightness of 95800 cd m-2 and a maximum luminance efficiency of 87.9 cd A -1 (46.0 lm W-1) were achieved for the pristine complex without any substituent in the ligand. These performances represent a significant improvement for vacuum-deposited orange OLEDs and the new record of the efficiencies for orange OLEDs reported so far. The substituents in the ligand were observed to be rather unimportant to influence the performance of this series of iridium complexes.

Antimycobacterial activity of 3'- and 4'-fluorothiobenzanilides

Waisser,Kunes,Odlerova,Roman,Kubicova,Horak

, p. 193 - 195 (2007/10/03)

On the basis of a preliminary study of the antimycobacterial activity of thiobenzanilides, a group of 3/-fluoro- and 4/fluorothiobenzanilides has been synthesized and tested against Mycobacterium tuberculosis, M. kansasii, M. avium and M. fortuitum. The r

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