4-((1H-1,2,4-Triazol-1-yl)methyl)phenol

Base Information

Chemical Name:4-((1H-1,2,4-Triazol-1-yl)methyl)phenol
CAS No.:119192-11-9
Molecular Formula:C9H9N3O
Molecular Weight:175.19
Hs Code.:2933990090
DSSTox Substance ID:DTXSID10437883
Wikidata:Q82253482
Mol file:119192-11-9.mol

Synonyms:119192-11-9;4-((1H-1,2,4-Triazol-1-yl)methyl)phenol;1-(4-Hydroxy-benzyl)-1,2,4-triazole;4-(1,2,4-triazol-1-ylmethyl)phenol;4-(1H-1,2,4-Triazol-1-ylmethyl)phenol;4-[(1H-1,2,4-Triazol-1-yl)methyl]phenol;Phenol,4-(1H-1,2,4-triazol-1-ylmethyl)-;SCHEMBL3235365;DTXSID10437883;DHGHMNOUPYIXRU-UHFFFAOYSA-N;STL430465;AKOS003678425;AB31528;AC-14380;J-004082

Suppliers and Price of 4-((1H-1,2,4-Triazol-1-yl)methyl)phenol

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Crysdot
4-((1H-1,2,4-Triazol-1-yl)methyl)phenol 95+%
1g
$ 402.00

American Custom Chemicals Corporation
1-(4-HYDROXY-BENZYL)-1,2,4-TRIAZOLE 95.00%
1G
$ 945.95

Alichem
4-((1H-1,2,4-Triazol-1-yl)methyl)phenol
1g
$ 334.56

Total 5 raw suppliers

Chemical Property of 4-((1H-1,2,4-Triazol-1-yl)methyl)phenol

Chemical Property:

Vapor Pressure:3.82E-07mmHg at 25°C
Refractive Index:1.642
Boiling Point:405.2 °C at 760 mmHg
Flash Point:198.8 °C
PSA：50.94000
Density:1.27 g/cm³
LogP:1.03200
Storage Temp.:2-8°C
XLogP3:0.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:2
Exact Mass:175.074561919
Heavy Atom Count:13
Complexity:157

Purity/Quality:

99% ^*data from raw suppliers

4-((1H-1,2,4-Triazol-1-yl)methyl)phenol 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1CN2C=NC=N2)O

Technology Process of 4-((1H-1,2,4-Triazol-1-yl)methyl)phenol

There total 4 articles about 4-((1H-1,2,4-Triazol-1-yl)methyl)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: 88.0%

: 119192-10-8
4-(1H-1,2,4-triazol-1-ylmethyl)aniline

: 119192-11-9
1-(p-hydroxybenzyl)-1,2,4-triazole

Guidance literature:: With sodium nitrate; sulfuric acid; In water; room temp., 20 min, 85 deg C, 35 min;

Reference yield: 45.4%

: 271258-98-1
1-(4-benzyloxybenzyl)-1H-[1,2,4]triazole

: 536975-34-5
4-(4-benzyloxybenzyl)-4H-[1,2,4]triazole

: 119192-11-9
1-(p-hydroxybenzyl)-1,2,4-triazole

Guidance literature:: With hydrogen; 10% palladium on activated carbon; In tetrahydrofuran; ethanol; at 20 ℃; for 72h;

Reference yield:

: 100-14-1
4-nitrobenzyl chloride

: 119192-11-9
1-(p-hydroxybenzyl)-1,2,4-triazole

Guidance literature:: Multi-step reaction with 3 steps

1: 71 percent / sodium ethoxide / ethanol / room temp. 4 h, reflux, 1 h

2: 96 percent / hydrogen / 5percent Pd/C / ethanol / Ambient temperature

3: 88 percent / H₂SO₄, NaNO₃ / H₂O / room temp., 20 min, 85 deg C, 35 min

With sodium nitrate; sulfuric acid; hydrogen; sodium ethanolate; palladium on activated charcoal; In ethanol; water;