127351-07-9

Basic information

• Product Name: 3-bromo-N-phenylbenzenecarbothioamide
• CAS NO: 127351-07-9
• Molecular Formula: C₁₃H₁₀BrNS
• Molecular Weight: 292.1942
• Mol File: 127351-07-9.mol
• Article Data: 2

Chemical Properties

• Boiling Point: 381.6°C at 760 mmHg
• Flash Point: 184.6°C
• Density: 1.518g/cm³
• Vapor Pressure: 5.02E-06mmHg at 25°C
• Refractive Index: 1.717
• CAS DataBase Reference: 3-bromo-N-phenylbenzenecarbothioamide(CAS DataBase Reference)
• NIST Chemistry Reference: 3-bromo-N-phenylbenzenecarbothioamide(127351-07-9)
• EPA Substance Registry System: 3-bromo-N-phenylbenzenecarbothioamide(127351-07-9)

Safety Data

• Hazardous Substances Data: 127351-07-9(Hazardous Substances Data)

Upstream product

• 62-53-3 aniline 
• 1711-09-7 3-bromobenzoyl chloride 
• 63710-33-8 3-bromo-N-phenylbenzamide 

Downstream Products

• 19654-14-9 2-(3-Bromo-phenyl)-benzothiazole 

Relevant articles and documents

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.