159584-10-8

Basic information

• Product Name: Benzoic acid, 4-[[(4-nitrophenyl)thio]methyl]-, ethyl ester
• CAS NO: 159584-10-8
• Molecular Formula: C16H15NO4S
• Molecular Weight: 317.365
• Mol File: 159584-10-8.mol
• Article Data: 2

Chemical Properties

• CAS DataBase Reference: Benzoic acid, 4-[[(4-nitrophenyl)thio]methyl]-, ethyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: Benzoic acid, 4-[[(4-nitrophenyl)thio]methyl]-, ethyl ester(159584-10-8)
• EPA Substance Registry System: Benzoic acid, 4-[[(4-nitrophenyl)thio]methyl]-, ethyl ester(159584-10-8)

Safety Data

• Hazardous Substances Data: 159584-10-8(Hazardous Substances Data)

Upstream product

• 1201-90-7 ethyl 4-chloromethylbenzoate 
• 1849-36-1 para-nitrobenzenethiol 
• 13113-79-6 sodium 4-nitrobenzenethiolate 
• 1642-81-5 p-(chloromethyl)benzoic acid 

Downstream Products

• 117687-63-5 Ethyl 4-<((4'-nitrophenyl)sulfonyl)methyl>benzoate 

Relevant articles and documents

Kinetics of the reaction of sodium arylthiolates with nitro-carboxybenzyl halide derivatives

The rate constants for the reactions of 4-halomethyl-3-nitrobenzoic acids, the nonnitro derivatives, and their ethyl esters with arylthiolates were measured at different temperatures. It was found that the retardation in rate constants compared to benzyl halides is due to the electrostatic repulsion between the electronegative substituents (COO- and/or NO2) in the substrates and thiolate ions Good correlations between log K2 values of the acids and carbon basicities of thiolates were found while log k2 values of the esters show good straight lines with Hammett a constants, pKa. and carbon basicities of arylthiolates.