6335-82-6

Basic information

• Product Name: 4-Nitrobenzeneacetic acid phenyl ester
• Synonyms: 4-Nitrobenzeneacetic acid phenyl ester
• CAS NO: 6335-82-6
• Molecular Formula: C₁₄H₁₁NO₄
• Molecular Weight: 257.24
• Mol File: 6335-82-6.mol
• Article Data: 3

Chemical Properties

• Melting Point: 90.5-91.2 °C
• Boiling Point: 428.1°C at 760 mmHg
• Flash Point: 193.4°C
• Appearance: /
• Density: 1.288g/cm³
• Vapor Pressure: 1.56E-07mmHg at 25°C
• Refractive Index: 1.603
• CAS DataBase Reference: 4-Nitrobenzeneacetic acid phenyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 4-Nitrobenzeneacetic acid phenyl ester(6335-82-6)
• EPA Substance Registry System: 4-Nitrobenzeneacetic acid phenyl ester(6335-82-6)

Safety Data

• Hazardous Substances Data: 6335-82-6(Hazardous Substances Data)

Usage

InChI:InChI=1/C14H11NO4/c16-14(19-13-4-2-1-3-5-13)10-11-6-8-12(9-7-11)15(17)18/h1-9H,10H2

Upstream product

• 108-95-2 phenol 
• 50434-36-1 4-nitrophenylacetyl chloride 
• 139-02-6 sodium phenoxide 

Downstream Products

• 16035-91-9 4-nitrophenylacetanilide 
• 3229-70-7 phenolate 
• 93130-84-8 (4-Amino-phenyl)-acetic acid phenyl ester; hydrochloride 
• 104-03-0 4-nitrobenzeneacetic acid 
• 108-95-2 phenol 
• 93130-67-7 (4-Guanidino-phenyl)-acetic acid phenyl ester; compound with methanesulfonic acid 

Relevant articles and documents

Synthesis and structure-activity study of protease inhibitors. I. (Guanidinophenyl)propionate and guanidinocinnamate derivatives

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Hydrolysis of Esters and Amides in Strongly Basic Solution. Evidence for the Intermediacy of Carbanions

Kinetic studies of the decomposition of the carbaninons derived from a number of esters and amides of p-nitrophenylacetic acid in strongly basic solution have been carried out.Kinetic solvents isotop effects and the large Hammett ρ value for substituents on the aromatic ring of substituted phenyl esters of p-nitrophenylacetic acid suggest decomposition occurs by an E1cB mechanism.Furthermore, it appears that the carbanion can decompose by either an ionic or a free-radical mechanism, depeneding on the nucleofugality of the leaving group.An intermediate predicted to be 4-nitrophenyl ketone ha been detected spestroscopically in a number of cases.