4612-90-2

Basic information

• Product Name: 1H-Tetrazole, 5-(4-methylphenoxy)-
• CAS NO: 4612-90-2
• Molecular Formula: C8H8N4O
• Molecular Weight: 176.178
• Mol File: 4612-90-2.mol
• Article Data: 3

Chemical Properties

• CAS DataBase Reference: 1H-Tetrazole, 5-(4-methylphenoxy)-(CAS DataBase Reference)
• NIST Chemistry Reference: 1H-Tetrazole, 5-(4-methylphenoxy)-(4612-90-2)
• EPA Substance Registry System: 1H-Tetrazole, 5-(4-methylphenoxy)-(4612-90-2)

Safety Data

• Hazardous Substances Data: 4612-90-2(Hazardous Substances Data)

Usage

Physical form

white to light yellow solid

Melting point

180-185 degrees Celsius

Use as a building block

in the synthesis of pharmaceuticals and agrochemicals

Potential use

as an anti-cancer agent

Possible applications in materials science

as a precursor for the preparation of conducting polymers and energetic materials

Wide range of potential applications

in various fields of science and industry.

Upstream product

• 1124-58-9 p-tolylcyanate 
• 320603-05-2 5-p-tolyloxy-tetrazole-2-carboxylic acid methyl ester 
• 106-44-5 p-cresol 

Downstream Products

• 320603-05-2 5-p-tolyloxy-tetrazole-2-carboxylic acid methyl ester 
• 264123-92-4 N^I-(4-methylbenzenesulfonyl)(4-methylphenoxy)imidoyl azide 

Relevant articles and documents

CoFe2O4 nanoparticles as a magnetically recoverable and reusable catalyst for the synthesis of arylaminotetrazoles and 5-aryloxytetrazoles

An efficient and direct method is described for the synthesis of 5-arylamino-1H-tetrazoles (Isomer A) or 1-aryl-5-amino-1Htetrazoles (Isomer B) and 5-aryloxytetrazoles from arylcyanamides or cynates with nano CoFe 2O4 as a reusable a

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.