4-(1H-Tetrazol-5-YL)phenol

Base Information

• Chemical Name: 4-(1H-Tetrazol-5-YL)phenol
• CAS No.: 51517-88-5
• Molecular Formula: C7H6N4O
• Molecular Weight: 162.151
• DSSTox Substance ID: DTXSID90419945,DTXSID50901154
• Nikkaji Number: J754.887G
• Wikidata: Q72481158
• ChEMBL ID: CHEMBL289030
• Mol file: 51517-88-5.mol

Synonyms:4-(1H-TETRAZOL-5-YL)PHENOL;51517-88-5;5-(4-Hydroxyphenyl)tetrazole;4-(2h-tetrazol-5-yl)phenol;Phenol, 4-(1H-tetrazol-5-yl)-;MFCD05662709;5-(4-hydroxyphenyl)-1H-tetrazole;NoName_229;SCHEMBL595369;CHEMBL289030;YSCH0310;DTXSID50901154;DTXSID90419945;QOYMNYWFHZFXHR-UHFFFAOYSA-N;BCA51788;AKOS000661583;AKOS012535928;5-(4-HYDROXYPHENYL) TETRAZOLE;AB21785;AS-31208;SY012317;CS-0127977;FT-0650759;EN300-1253842;4-(1H-1,2,3,4-TETRAZOL-5-YL)PHENOL;A828640;Z1000398

Chemical Property of 4-(1H-Tetrazol-5-YL)phenol

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Melting Point: 240°C
• Refractive Index: 1.668
• Boiling Point: 416.78°C at 760 mmHg
• Flash Point: 205.862°C
• PSA: 74.69000
• Density: 1.458
• LogP: 0.57230
• XLogP3: 0.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 162.05416083
• Heavy Atom Count: 12
• Complexity: 146

Purity/Quality:

99% ^*data from raw suppliers

4-(1H-Tetrazol-5-yl)phenol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC(=CC=C1C2=NNN=N2)O

Technology Process of 4-(1H-Tetrazol-5-YL)phenol

There total 17 articles about 4-(1H-Tetrazol-5-YL)phenol 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: 98.0%

4-cyanophenol (767-00-0) → 5-(4-hydroxyphenyl)-1H-1,2,3,4-tetrazole (51517-88-5)

Guidance literature:

With sodium azide; at 120 ℃; for 0.25h;

DOI:10.1016/j.poly.2018.10.013

Reference yield: 96.0%

4-cyanophenol (767-00-0) → 5-(4-hydroxyphenyl)tetrazole (51517-88-5)

Guidance literature:

With sodium azide; zinc dibromide; In water; at 140 ℃; for 24h;

DOI:10.1021/jo010635w

Reference yield: 96.0%

(4-hydroxyphenyl)methanol (623-05-2) → 5-(4-hydroxyphenyl)-1H-1,2,3,4-tetrazole (51517-88-5)

Guidance literature:

With sodium azide; hydroxylamine hydrochloride; In water; at 20 ℃; for 2h;

DOI:10.1016/j.mcat.2020.111311

upstream raw materials:

4-cyanophenol

4-hydroxy-benzaldehyde

4-hydroxybenzaldehyde oxime

(p-hydroxyphenyl)boronic acid

Downstream raw materials:

2-(1'-iodopropyn-3'-yl)-5-(p-hydroxyphenyl)tetrazole

4-(1H-tetrazole-5-yl)phenyl acetate

Tropone

4-cyanophenol