4-Hydroxy-2,5,6-trichloroisophthalonitrile

Base Information

Chemical Name:4-Hydroxy-2,5,6-trichloroisophthalonitrile
CAS No.:28343-61-5
Molecular Formula:C8H Cl3 N2 O
Molecular Weight:247.468
Hs Code.:2926909090
European Community (EC) Number:881-469-6
UNII:IQJ3P52AEE
DSSTox Substance ID:DTXSID90182586
Nikkaji Number:J124.973H
Wikidata:Q27280855
Metabolomics Workbench ID:199704
ChEMBL ID:CHEMBL3248146
Mol file:28343-61-5.mol

Synonyms:Bravo;chlorothalonil;Daconil;hydroxychlorothalonil;tetrachloroisophthalonitrile

Suppliers and Price of 4-Hydroxy-2,5,6-trichloroisophthalonitrile

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

Medical Isotopes, Inc.
HydroxyChlorothalonil
100 mg
$ 650.00

Medical Isotopes, Inc.
HydroxyChlorothalonil
1 g
$ 2200.00

American Custom Chemicals Corporation
2,4,5-TRICHLORO-6-HYDROXYBENZENE-1,3-DICARBONITRILE 95.00%
5G
$ 1548.26

American Custom Chemicals Corporation
2,4,5-TRICHLORO-6-HYDROXYBENZENE-1,3-DICARBONITRILE 95.00%
2.5G
$ 1227.82

American Custom Chemicals Corporation
2,4,5-TRICHLORO-6-HYDROXYBENZENE-1,3-DICARBONITRILE 95.00%
1G
$ 852.55

Total 8 raw suppliers

Chemical Property of 4-Hydroxy-2,5,6-trichloroisophthalonitrile

Chemical Property:

Vapor Pressure:1.57E-05mmHg at 25°C
Melting Point:262-264 °C(Solv: ethanol (64-17-5))
Boiling Point:355°Cat760mmHg
PKA:1.67±0.33(Predicted)
Flash Point:168.5°C
PSA：67.81000
Density:1.75g/cm³
LogP:3.09576
XLogP3:2.5
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:0
Exact Mass:245.915446
Heavy Atom Count:14
Complexity:317

Purity/Quality:

97% ^*data from raw suppliers

HydroxyChlorothalonil ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C(#N)C1=C(C(=C(C(=C1Cl)C#N)Cl)Cl)O
Uses Hydroxychlorothalonil is a metabolite of Chlorothalonil (C411250).

Technology Process of 4-Hydroxy-2,5,6-trichloroisophthalonitrile

There total 3 articles about 4-Hydroxy-2,5,6-trichloroisophthalonitrile 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: 40.0%