1629-25-0

Basic information

• Product Name: N-(4-fluorophenyl)benzenecarbothioamide
• CAS NO: 1629-25-0
• Molecular Formula: C₁₃H₁₀FNS
• Molecular Weight: 231.2886
• Mol File: 1629-25-0.mol
• Article Data: 8

Chemical Properties

• Boiling Point: 328.8°C at 760 mmHg
• Flash Point: 152.6°C
• Density: 1.282g/cm³
• Vapor Pressure: 0.000185mmHg at 25°C
• Refractive Index: 1.678
• CAS DataBase Reference: N-(4-fluorophenyl)benzenecarbothioamide(CAS DataBase Reference)
• NIST Chemistry Reference: N-(4-fluorophenyl)benzenecarbothioamide(1629-25-0)
• EPA Substance Registry System: N-(4-fluorophenyl)benzenecarbothioamide(1629-25-0)

Safety Data

• Hazardous Substances Data: 1629-25-0(Hazardous Substances Data)

Upstream product

• 65-85-0 benzoic acid 
• 6313-36-6 benzyl thiosulphate 
• 371-40-4 4-fluoroaniline 
• 98-88-4 benzoyl chloride 
• 100-52-7 benzaldehyde 
• 366-75-6 N-(4-fluorophenyl)benzamide 

Downstream Products

• 1629-94-3 6-fluoro-2-(p-tolyl)benzo[d]thiazole 

Relevant articles and documents

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

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

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

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.

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

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.