4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one

Base Information

Chemical Name:4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one
CAS No.:5097-86-9
Molecular Formula:C8H6ClN3O
Molecular Weight:195.608
Hs Code.:2933990090
DSSTox Substance ID:DTXSID90599216
Nikkaji Number:J2.257.440J
Wikidata:Q72457686
Mol file:5097-86-9.mol

Synonyms:4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one;5097-86-9;4-(4-chlorophenyl)-1H-1,2,4-triazol-5-one;4-(4-chlorophenyl)-2H-1,2,4-triazol-3(4H)-one;SCHEMBL8718822;DTXSID90599216;PMXUOAFWKPAZIG-UHFFFAOYSA-N;MFCD11053882;AKOS006308404;BS-28565;CS-0207808;A871405;4-(4-chlorophenyl)-3(2H,4H)-1,2,4-triazolone;4-(4-Chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Suppliers and Price of 4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one

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-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one 95+%
25g
$ 452.00

Apolloscientific
4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one 98%
5g
$ 225.00

Apolloscientific
4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one 98%
1g
$ 100.00

Apolloscientific
4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one 98%
25g
$ 595.00

American Custom Chemicals Corporation
4-(4-CHLOROPHENYL)-1H-1,2,4-TRIAZOL-5(4H)-ONE 95.00%
5MG
$ 496.96

Alichem
4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one
25g
$ 497.04

AK Scientific
4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one
25g
$ 691.00

Total 17 raw suppliers

Chemical Property of 4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one

Chemical Property:

Melting Point:200 °C
PKA:9.05±0.20(Predicted)
PSA：50.68000
Density:1.49±0.1 g/cm3(Predicted)
LogP:1.21400
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:195.0199395
Heavy Atom Count:13
Complexity:236

Purity/Quality:

97% ^*data from raw suppliers

4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one 95+% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC=C1N2C=NNC2=O)Cl

Technology Process of 4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one

There total 6 articles about 4-(4-Chlorophenyl)-1H-1,2,4-triazol-5(4H)-one 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:

: 69194-89-4
p-chlorophenylsemicarbazide

: 3473-63-0
formamidine acetic acid

: 5097-86-9
4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Guidance literature:: With acetic acid; In N,N-dimethyl-formamide; at 80 ℃; for 8h;
DOI:10.1016/j.ejmech.2011.03.019

Reference yield:

: 6294-89-9
hydrazinecarboxylic acid methyl ester

: 106-47-8
4-chloro-aniline

: 122-51-0
orthoformic acid triethyl ester

: 5097-86-9
4-(4-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Guidance literature:: hydrazinecarboxylic acid methyl ester; orthoformic acid triethyl ester; With toluene-4-sulfonic acid; In methanol; at 60 ℃; for 3h; Inert atmosphere;

4-chloro-aniline; With sodium ethanolate; In butan-1-ol; at 100 ℃; for 18h; Inert atmosphere;