5-Phenyl-1H-tetrazole

Base Information

• Chemical Name: 5-Phenyl-1H-tetrazole
• CAS No.: 18039-42-4
• Deprecated CAS: 221658-40-8,25378-28-3,31422-49-8,3999-10-8,133585-63-4,133585-63-4,25378-28-3,31422-49-8,3999-10-8
• Molecular Formula: C7H6N4
• Molecular Weight: 146.151
• Hs Code.: 2933.99
• European Community (EC) Number: 241-950-8
• NSC Number: 11138
• UNII: L66K25GN4V
• DSSTox Substance ID: DTXSID6044858
• Nikkaji Number: J111.262G
• Wikidata: Q27282760
• ChEMBL ID: CHEMBL39261
• Mol file: 18039-42-4.mol

Synonyms:5-Phenyl-1H-tetrazole;18039-42-4;5-Phenyl-2H-tetrazole;5-Phenyltetrazole;1H-Tetrazole, 5-phenyl-;2H-Tetrazole, 5-phenyl-;Phenyltetrazole;5-Phenyl tetrazole;Expandex 5PT;Expandex OX 5PT;MA 1623;Kempore 50XPT;5-Phenyltetrazole (VAN);Tetrazole, 5-phenyl-;EINECS 241-950-8;NSC 11138;UNII-L66K25GN4V;CHEMBL39261;L66K25GN4V;DTXSID6044858;5-phenyl-2H-1,2,3,4-tetrazole;NSC-11138;3999-10-8;5-Phenyl-1H-tetrazol;phenyl tetrazole;phenyl-tetrazole;5-phenyl-tetrazole;5 -Phenyltetrazole;MFCD00022388;CADMIUMTELLURIDE;5-phenyl 1h-tetrazole;(tetrazol-5-yl)benzene;5-Phenyl(1H)tetrazole;Enamine_005030;5-Phenyl-1H-tetraazole;5-phenyl-2-H-tetrazole;SCHEMBL4950;5-Phenyl-1H-tetraazole #;MLS000779707;Tetrazole, 5-phenyl- (6CI);5-Phenyl-1H-tetrazole, 99%;DTXCID4024858;HMS1408E14;HMS2797H22;BCP21892;NSC11138;5-phenyl-1H-1,2,3,4-tetrazole;Tox21_301684;5-Phenyl-2H-tetraazole, AldrichCPR;BBL038156;BDBM50078835;MFCD01451271;STK020781;AKOS000262997;AKOS000277280;AC-8304;CS-M-45992;PS-4462;IDI1_007617;NCGC00246367-01;NCGC00256045-01;AC-17071;CS-10905;SMR000419890;CAS-18039-42-4;LS-149185;AM20060882;BB 0258383;CS-0016050;FT-0620745;P1109;EN300-02959;A23408;D70932;AE-641/00394022;W-107812;Q27282760;Z56887706

Chemical Property of 5-Phenyl-1H-tetrazole

Chemical Property:

• Appearance/Colour: white to almost white crystalline powder
• Vapor Pressure: 0.000165mmHg at 25°C
• Melting Point: 216 °C (dec.)(lit.)
• Refractive Index: 1.6530 (estimate)
• Boiling Point: 330.5 °C at 760 mmHg
• PKA: 4.28±0.10(Predicted)
• Flash Point: 161.3 °C
• PSA: 54.46000
• Density: 1.296 g/cm³
• LogP: 0.86670
• Storage Temp.: Flammables area
• Solubility.: DMSO, Methanol (Slightly)
• XLogP3: 1.1
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 146.059246208
• Heavy Atom Count: 11
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

5-Phenyl-1H-tetrazole ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn;Xi;F
• Hazard Codes: Xn,Xi,F
• Statements: 22-44-11-36/37/38
• Safety Statements: 36-37/39-26-16

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NNN=N2
• Uses: 5-Phenyl-1H-tetrazole can be used as an etching solution composing metal wire layer to improve the production efficiency of panel manufacturing and cost reduction. 5-Phenyl-1H-tetrazole may be used as ligand in the solvothermal synthesis of 3D polyoxometalate-based silver coordination polymers. It was used in the synthesis of 5-phenyltetrazolate organolanthanide complexes. It was used to investigate the corrosion inhibition of copper in salt water.

Technology Process of 5-Phenyl-1H-tetrazole

There total 90 articles about 5-Phenyl-1H-tetrazole which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 100.0%

2-(α,α-dimethylbenzyl)-5-phenyltetrazole (165670-57-5) → 5-Phenyl-1H-tetrazole (18039-42-4,3999-10-8)

Guidance literature:

With potassium formate; palladium on activated charcoal; In ethanol; for 4h; Heating;

DOI:10.1021/jo991236s

Reference yield: 98.8%

→ 5-Phenyl-1H-tetrazole (18039-42-4,3999-10-8)

Guidance literature:

Reference yield: 92.0%

benzamide (55-21-0,27208-38-4) → 5-Phenyl-1H-tetrazole (18039-42-4,3999-10-8)

Guidance literature:

With triazidochlorosilane; In acetonitrile; for 2h; Heating;

DOI:10.1016/S0040-4039(97)00052-X

upstream raw materials:

benzamidrazone

N¹-(α-Aminobenzyliden)benzamidrazon

benzonitrile

benzimidic acid ethyl ester

Downstream raw materials:

5-phenyl-2-(2-piperidino-ethyl)-2H-tetrazole

phenyl-2 (chloro-2 phenyl)-5 oxadiazole-1,3,4

N-(4-nitrophenyl)-5-phenyl-1,3,4-oxadiazole-2-amine

5-Phenyl-2-phenylamino-1,3,4-thiadiazol

Refernces

• 1、 Giri, Arnab Kanti,Saha, Arka,Mondal, Aniruddha,Chandra Ghosh, Subhash,Kundu, Susmita,Panda, Asit Baran. "Rectangular ZnO porous nano-plate assembly with excellent acetone sensing performance and catalytic activity". . p. 102134 - 102142. Retrieved 2015.
• 2、 Yan, Liwei,Gou, Shaohua,Ye, Zhongbin,Zhang, Shihong,Ma, Lihua. "Self-healing and moldable material with the deformation recovery ability from self-assembled supramolecular metallogels". . p. 12847 - 12850. Retrieved 2014.
• 3、 Moon, Seong-Hee,Latif, Muhammad,Qasim, Muhammad,Choi, Sik-Won,Lee, Joo Yun,Byun, Byung Jin,Saeed, Aamer,Kim, Seong Hwan. "Synthesis, characterization, and biological evaluation of oxadiazole derivatives bearing 5-phenyl-tetrazole as osteoclast differentiation inhibitors". . p. 2247 - 2253. Retrieved 2015.
• 4、 Alexander,Renyer,Rork. "Investigation of N-[(acyloxy)alkyl] ester as a prodrug model for drugs containing the phenyltetrazole moiety". . p. 893 - 897. Retrieved 1994.
• 5、 Xie, Ming-Sheng,Cheng, Xuan,Chen, Yang-Guang,Wu, Xiao-Xia,Qu, Gui-Rong,Guo, Hai-Ming. "Efficient synthesis of tetrazole hemiaminal silyl ethers via three-component hemiaminal silylation". . p. 6890 - 6894. Retrieved 2018.
• 6、 Ishihara, Kotaro,Shioiri, Takayuki,Matsugi, Masato. "An Expeditious Approach to Tetrazoles from Amides Utilizing Phosphorazidates". . p. 6244 - 6247. Retrieved 2020.
• 7、 Karimian, Azam,Emarloo, Nahid,Salari, Samira. "The mineral alum: an effective and low-cost heterogeneous catalyst for the successful synthesis of 5-substituted-1H-tetrazoles". . p. 91 - 100. Retrieved 2020/06/01.
• 8、 Ashraf, Muhammad Aqeel,Liu, Zhenling,Li, Cheng,Zhang, Dangquan. "Fe3O4@L-lysine-Pd(0) organic–inorganic hybrid: As a novel heterogeneous magnetic nanocatalyst for chemo and homoselective [2 + 3] cycloaddition synthesis of 5-substituted 1H-tetrazoles". . . Retrieved 2020/12/23.