31053-90-4

Basic information

• Product Name: C₆H₄BrS
• Synonyms: C₆H₄BrS
• CAS NO: 31053-90-4
• Molecular Weight: 188.068
• Mol File: 31053-90-4.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: C₆H₄BrS(CAS DataBase Reference)
• NIST Chemistry Reference: C₆H₄BrS(31053-90-4)
• EPA Substance Registry System: C₆H₄BrS(31053-90-4)

Safety Data

• Hazardous Substances Data: 31053-90-4(Hazardous Substances Data)

Upstream product

• 2122-46-5 phenoxy radical 
• 26972-20-3 4-bromo-benzenethiol; deprotonated form 
• 106-53-6 para-bromobenzenethiol 
• 50-44-2 6H-purine-6-thione 
• 5335-84-2 bis(4-bromophenyl)disulfide 

Downstream Products

• 2122-46-5 phenoxy radical 
• 26972-20-3 4-bromo-benzenethiol; deprotonated form 
• 84751-91-7 C₆H₅NO*C₆H₄BrS 

Relevant articles and documents

Photochemical properties of excited triplet state of 6H-purine-6-thione investigated by laser flash photolysis

Photochemical reactions of 6H-purine-6-thione (PuT) via the excited triplet state [3(PuT)*] have been studied by means of laser flash photolysis in organic solvents. Transient absorption bands at 475 and 690 nm were assigned to 3(PuT)*. Intersystem quantum yield and the lowest triplet energy of 3(PuT)* were evaluated to be 0.99 and 63 kcal/mol, respectively. The self-quenching rate constant is quite large (2.3×109 M-1 s-1 in THF). In photoinduced electron transfer, 3(PuT)* acts as electron acceptor for tetramethylbenzidine, while 3(PuT)* acts as electron donor for p-dinitrobenzene. Rate constants for H-atom abstraction (khT) of 3(PuT)* from benzenethiols, tocopherol, and 1,4-cyclohexadiene are on the order of 108 M-1 s-1. From the Hammett plots of khT for substituted benzenethiols, a negative ρ value indicates that 3(PuT)* has electrophilic character. In the addition reaction of 3(PuT)* toward various alkenes, the electrophilic character of 3(PuT)* was also confirmed. By steady-light photolysis of PuT, purine was produced via 3(PuT)* after H-atom abstraction. On combination of these results, the character of the lowest 3(PuT)* was presumed.

Substituent Effects on the Free-radical Addition Reactions of Arylthiyl Radicals with Arylacetylenes

Absolute rate constants for addition reactions of arylthiyl radicals (YC6H4S.) to arylacetylenes (XC6H4CCH) have been determined by a flash-photolysis method.The rate constants (in dm3 mol-1 s-1) vary from 1.