4-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Base Information

Chemical Name:4-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
CAS No.:80240-38-6
Molecular Formula:C8H6ClN3O
Molecular Weight:195.608
Hs Code.:2914390090
DSSTox Substance ID:DTXSID50702229
Wikidata:Q82634080
Mol file:80240-38-6.mol

Synonyms:80240-38-6;4-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one;4-(3-chlorophenyl)-1H-1,2,4-triazol-5-one;4-(3-chlorophenyl)-4,5-dihydro-1H-1,2,4-triazol-5-one;DTXSID50702229;MFCD18074540;AS-8548

Suppliers and Price of 4-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-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

SynQuest Laboratories
4-(3-Chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
1 g
$ 212.00

Matrix Scientific
4-(3-Chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
1g
$ 286.00

Atlantic Research Chemicals
4-(3-Chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one 95%
250mgs:
$ 74.23

Apolloscientific
4-(3-Chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one
1g
$ 179.00

Activate Scientific
4-(3-Chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one 95+%
5 g
$ 789.00

Activate Scientific
4-(3-Chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one 95+%
1 g
$ 244.00

Total 6 raw suppliers

Chemical Property of 4-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

Chemical Property:

PSA：50.94000
LogP:1.62630
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:244

Purity/Quality:

99%, ^*data from raw suppliers

4-(3-Chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)Cl)N2C=NNC2=O

Technology Process of 4-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-one

There total 1 articles about 4-(3-chlorophenyl)-2,4-dihydro-3H-1,2,4-triazol-3-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:

: 51707-42-7
N-(3-chlorophenyl)hydrazine carboxamide

: 3473-63-0
formamidine acetic acid

: 80240-38-6
C₈H₆ClN₃O

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

Reference yield:

: 80240-38-6
C₈H₆ClN₃O

: 109-64-8
1,3-dibromo-propane

: 1346235-13-9
C₁₁H₁₁BrClN₃O

Guidance literature:: With potassium carbonate; In N,N-dimethyl-formamide; at 65 ℃; for 10h;
DOI:10.1016/j.ejmech.2011.03.019

Reference yield:

: 80240-38-6
C₈H₆ClN₃O

: 1346235-53-7
1-(3-(4-(2-(2,4-difluorophenyl)-2-hydroxy-3-(1H-1,2,4-triazol-1-yl)propyl) piperazin-1-yl)propyl)-4-(3-chlorophenyl)-1H-1,2,4-triazol-5(4H)-one

Guidance literature:: Multi-step reaction with 3 steps

1: potassium carbonate / N,N-dimethyl-formamide / 10 h / 65 °C

2: potassium carbonate / ethanol / 8 h / 70 °C

3: triethylamine / ethanol / 8 h / Reflux

With potassium carbonate; triethylamine; In ethanol; N,N-dimethyl-formamide;
DOI:10.1016/j.ejmech.2011.03.019