320603-23-4

Basic information

• Product Name: 2H-Tetrazole-2-carboxylic acid, 5-(4-nitrophenoxy)-, methyl ester
• CAS NO: 320603-23-4
• Molecular Formula: C9H7N5O5
• Molecular Weight: 265.185
• Mol File: 320603-23-4.mol
• Article Data: 1

Chemical Properties

• CAS DataBase Reference: 2H-Tetrazole-2-carboxylic acid, 5-(4-nitrophenoxy)-, methyl ester(CAS DataBase Reference)
• NIST Chemistry Reference: 2H-Tetrazole-2-carboxylic acid, 5-(4-nitrophenoxy)-, methyl ester(320603-23-4)
• EPA Substance Registry System: 2H-Tetrazole-2-carboxylic acid, 5-(4-nitrophenoxy)-, methyl ester(320603-23-4)

Safety Data

• Hazardous Substances Data: 320603-23-4(Hazardous Substances Data)

Upstream product

• 6773-32-6 5-(4-nitrophenoxy)tetrazole 
• 79-22-1 methyl chloroformate 

Downstream Products

• 51116-92-8 methyl 4,6-dimethoxysalicylate 
• 6773-32-6 5-(4-nitrophenoxy)tetrazole 
• 6773-32-6 5-(4-nitrophenoxy)tetrazole 

Relevant articles and documents

Kinetics and mechanism of izomerization of N-alkoxycarbonyl-5-aroxytetrazoles

The kinetics and mechanism of the N2-N1-isomerization of 2-methoxycarbonyl-5-(p-X-phenoxy)-tetrazoles (X = H, CH3, NHCOCH3, Cl, Br, NO2) were studied by 1H NMR spectroscopy in a DMSO-d6-CDCl3 mixture (25: 75). The rate of isomerization of the N2-isomer into N1-isomer fit the first-order equation (after three half-conversion periods). The isomerization is accompanied by hydrolysis and decarboxylation. The Hammett plot of In(kXlkH) for the isomerization showed a good correlation with σ- values (p- = 1.33, r = 0.965). A poor correlation with σ values was obtained. The kinetic data, the effect of solvent polarity, the substituent effects, and the results of AM1 quantum-chemical calculations suggest an ionic mechanism of the isomerization in polar solvents and a concerted mechanism in nonpolar solvents.