39923-99-4

Basic information

• Product Name: Benzenecarbothioic acid, 4-nitro-
• CAS NO: 39923-99-4
• Molecular Formula: C7H5NO3S
• Molecular Weight: 183.188
• Mol File: 39923-99-4.mol
• Article Data: 4

Chemical Properties

• CAS DataBase Reference: Benzenecarbothioic acid, 4-nitro-(CAS DataBase Reference)
• NIST Chemistry Reference: Benzenecarbothioic acid, 4-nitro-(39923-99-4)
• EPA Substance Registry System: Benzenecarbothioic acid, 4-nitro-(39923-99-4)

Safety Data

• Hazardous Substances Data: 39923-99-4(Hazardous Substances Data)

Upstream product

• 122-04-3 4-nitro-benzoyl chloride 
• 65032-59-9 bis-(4-nitro-benzoyl)-disulfane 
• 50338-08-4 S-trityl 4-nitrobenzothioate 
• 62-55-5 thioacetamide 

Downstream Products

• 112036-25-6 S-cyclohexyl 4-nitrobenzothioate 
• 41118-57-4 Benzoyl-p-nitrobenzoyldithiosulfit 
• 61268-11-9 C₈H₇NO₅S₂ 
• 61268-12-0 C₉H₉NO₅S₂ 
• 61268-14-2 C₁₀H₁₁NO₅S₂ 

Relevant articles and documents

A facile synthesis of thioacids by hydrolysis of 1-(acylthio)ethaniminium chlorides

A facile method for the preparation of thioacids in moderate to good yields has been developed by hydrolysis of 1-(acylthio)ethaniminium chlorides under a liquid-liquid two phase system consisting of benzene and a sodium hydroxide aqueous solution at room temperature. We have achieved facile preparation of these compounds without use of toxic compounds such as hydrogen sulfide.

Fast and highly chemoselective alkynylation of thiols with hypervalent iodine reagents enabled through a low energy barrier concerted mechanism

Among all functional groups, alkynes occupy a privileged position in synthetic and medicinal chemistry, chemical biology, and materials science. Thioalkynes, in particular, are highly useful, as they combine the enhanced reactivity of the triple bond with a sulfur atom frequently encountered in bioactive compounds and materials. Nevertheless, general methods to access these compounds are lacking. In this article, we describe the mechanism and full scope of the alkynylation of thiols using ethynyl benziodoxolone (EBX) hypervalent iodine reagents. Computations led to the discovery of a new, three-atom concerted transition state with a very low energy barrier, which rationalizes the high reaction rate. On the basis of this result, the scope of the reaction was extended to the synthesis of aryl- and alkyl-substituted alkynes containing a broad range of functional groups. New sulfur nucleophiles such as thioglycosides, thioacids, and sodium hydrogen sulfide were also alkynylated successfully to lead to the most general and practical method yet reported for the synthesis of thioalkynes.