5378-52-9

Basic information

• Product Name: 5-PHENYL-1H-TETRAZOLE
• Synonyms: 1-phenyl-1,2,3,4-tetrazole
• CAS NO: 5378-52-9
• Molecular Formula: C₇H₆N₄
• Molecular Weight: 146.1527
• Mol File: 5378-52-9.mol
• Article Data: 58

Chemical Properties

• Melting Point: 66 °C
• Boiling Point: 255.75°C (rough estimate)
• Flash Point: 128.4 °C
• Appearance: /
• Density: 1.2955 (rough estimate)
• Vapor Pressure: 0.00231mmHg at 25°C
• Refractive Index: 1.6530 (estimate)
• Storage Temp.: 2-8°C
• PKA: 0.44±0.10(Predicted)
• CAS DataBase Reference: 5-PHENYL-1H-TETRAZOLE(CAS DataBase Reference)
• NIST Chemistry Reference: 5-PHENYL-1H-TETRAZOLE(5378-52-9)
• EPA Substance Registry System: 5-PHENYL-1H-TETRAZOLE(5378-52-9)

Safety Data

• Hazardous Substances Data: 5378-52-9(Hazardous Substances Data)

Usage

General Description

5-PHENYL-1H-TETRAZOLE is a chemical compound with the molecular formula C7H6N4. It is a white to off-white crystalline powder with a melting point of 126-130°C. 5-PHENYL-1H-TETRAZOLE is commonly used as a reagent in organic synthesis, particularly in the production of pharmaceuticals and agrochemicals. It is also utilized as a building block for the synthesis of heterocyclic and bioactive compounds. Additionally, it is known for its ability to form stable complexes with transition metal ions, making it useful in coordination chemistry and metal-organic frameworks. Overall, 5-PHENYL-1H-TETRAZOLE is a valuable and versatile chemical with various applications in the fields of organic chemistry and materials science.

InChI:InChI=1/C7H6N4/c1-2-4-7(5-3-1)11-6-8-9-10-11/h1-6H

Upstream product

• 122-51-0 orthoformic acid triethyl ester 
• 62-53-3 aniline 
• 16484-16-5 5-iodo-1-phenyltetrazole 
• 637-51-4 isothiocyanatobenzene 
• 110-91-8 morpholine 
• 222178-94-1 α-(dimethylphosphoryl)methyl 5-(1-phenyl)-1H-tetrazolyl sulfoxide 
• 109-97-7 pyrrole 
• 1197040-29-1 phenyl isocyanate 
• 37468-67-0 1-phenyl-5-formyltetrazole 
• 100-52-7 benzaldehyde 
• 55-21-0 benzamide 
• 628-36-4 diformylhydrazine 
• 100-34-5 benzene diazonium chloride 
• 98-95-3 nitrobenzene 

Downstream Products

• 30543-46-5 N-phenyl-N'-(trimethylsilyl)carbodiimide 
• 4172-91-2 N-((methylimino)methylene)aniline 
• 2219-34-3 N-((tert-butylimino)methylene)aniline 
• 5467-78-7 fenamole 
• 107412-59-9 5-(4-methylphenyl)-1-phenyl-1H-tetrazole 
• 271-44-3 benzimidazole 
• 29872-49-9 N-phenylcarbodiimide 
• 62248-95-7 1-aza-cyclohepta-1,2,4,6-tetraene 
• 622-34-4 1-phenylcyanamide 
• 622-37-7 Phenyl azide 
• 51413-40-2 ethyl-1-phenyl-1H-tetrazole-5-carboxylate 

Relevant articles and documents

Removal of the Cd(II), Ni(II), and Pb(II) ions via their complexation with the uric acid-based adsorbent and use of the corresponding Cd-complex for the synthesis of tetrazoles

The magnetic supported uric acid-based compound (Fe3O4@SiO2@CPTMS@UA) was prepared, characterized and used as a capable adsorbent for removal of the Cd(II), Ni(II) and Pb(II) ions from aqueous solution. The Freundlich and Langmuir adsorption isotherms have been used to evaluate the adsorption behaviors. The high correlation coefficient of the Langmuir model (R+2 > 0.99) reveals that the Langmuir model offers the better coordination with the experimental results and so the model of adsorption of Cd2+, Ni2+, and Pb2+ on the adsorbent is more compatible with the Langmuir model, and the maximum adsorption capacity for the Cd, Ni, and Pb ions are about 285.7, 45.06 and 145.09 mg/g. Then, the corresponding Cd-complex (Fe3O4@SiO2@CPTMS@ UA@Cd) was also prepared, characterized and applied as an efficient heterogeneous nano-catalyst for the synthesis of diverse tetrazoles.

Efficient reduction of nitro compounds and domino preparation of 1-substituted-1H-1,2,3,4-tetrazoles by Pd(ii)-polysalophen coated magnetite NPs as a robust versatile nanocomposite

A new, versatile, and green methodology has been developed for the efficient NaBH4-reduction of nitroarenes as well as the domino/reduction MCR preparation of 1-substituted-1H-1,2,3,4-tetrazoles using Pd(ii)-polysalophen coated magnetite NPs as an efficient heterogeneous magnetically recyclable nanocatalyst. Polysalophen was firstly prepared based on a triazine framework with a high degree of polymerization, then coordinated to Pd ions and, finally, the resulting hybrid was immobilized on magnetite NPs. The catalyst was characterized by various instrumental and analytical methods, including GPC, DLS, N2adsorption-desorption, TGA, VSM, TEM, HRTEM, EDX, XPS, XRD, and ICP analyses. The catalyst possesses dual-functionality including the reduction of nitroarenes and the construction of tetrazole rings all in one stepviaa domino protocol. High to excellent yields were obtained for both nitro reduction and the direct preparation of 1-substituted-1H-1,2,3,4-tetrazoles from nitro compounds. Insight into the mechanism was conducted by XPSin situas well as DLSin situalong with several control experiments. Recyclability of the catalyst was studied for 6 consecutive runs along with metal leaching measurements in each cycle.

The anchoring of a Cu(ii)-salophen complex on magnetic mesoporous cellulose nanofibers: green synthesis and an investigation of its catalytic role in tetrazole reactions through a facile one-pot route

Today, most synthetic methods are aimed at carrying out reactions under more efficient conditions and the realization of the twelve principles of green chemistry. Due to the importance and widespread applications of tetrazoles in various industries, especially in the field of pharmaceutical chemistry, and the expansion of the use of nanocatalysts in the preparation of valuable chemical reaction products, we decided to use an (Fe3O4@NFC@NSalophCu)CO2H nanocatalyst in this project. In this study, the synthesis of the nanocatalyst (Fe3O4@NFC@NSalophCu)CO2H was explained in a step-by-step manner. Confirmation of the structure was obtained based on FT-IR, EDX, FE-SEM, TEM, XRD, VSM, DLS, TGA, H-NMR, and CHNO analyses. The catalyst was applied to the synthesis of 5-substituted-1H-tetrazole and 1-substituted-1H-tetrazole derivatives through multi-component reactions (MCRs), and the performance was assessed. With advances in science and technology and increasing environmental pollution, the use of reagents and methods that are less dangerous for the environment has received much attention. Therefore, following green chemistry principles, with the help of the (Fe3O4@NFC@NSalophCu)CO2H salen complex as a nanocatalyst that is recyclable, cheap, safe, and available, the use of water as a green solvent, and reduced reaction times, the synthesis of tetrazoles can be achieved.