CHEBI:3639 - chlorothalonil

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ChEBI Name chlorothalonil
ChEBI ID CHEBI:3639
Definition A dinitrile that is benzene-1,3-dicarbonitrile substituted by four chloro groups. A non-systemic fungicide first introduced in the 1960s, it is used to control a range of diseases in a wide variety of crops.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8Cl4N2
Net Charge 0
Average Mass 265.90988
InChI InChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
InChIKey CRQQGFGUEAVUIL-UHFFFAOYSA-N
SMILES Clc1c(Cl)c(C#N)c(Cl)c(C#N)c1Cl
Roles Classification
Biological Role(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide
A substance used to destroy fungal pests.
(via aromatic fungicide )
Application(s): antifungal agrochemical
Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide
A substance used to destroy fungal pests.
(via aromatic fungicide )
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ChEBI Ontology
Outgoing chlorothalonil (CHEBI:3639) has functional parent isophthalonitrile (CHEBI:38218)
chlorothalonil (CHEBI:3639) has role antifungal agrochemical (CHEBI:86328)
chlorothalonil (CHEBI:3639) is a aromatic fungicide (CHEBI:87034)
chlorothalonil (CHEBI:3639) is a dinitrile (CHEBI:51308)
chlorothalonil (CHEBI:3639) is a tetrachlorobenzene (CHEBI:26888)
IUPAC Name
2,4,5,6-tetrachlorobenzene-1,3-dicarbonitrile
Synonyms Sources
1,3-Dicyanotetrachlorobenzene ChemIDplus
2,4,5,6-Tetrachloro-3-cyanobenzonitrile ChemIDplus
Chlorothalonil KEGG COMPOUND
m-TCPN ChemIDplus
m-Tetrachlorophthalonitrile ChemIDplus
meta-TCPN ChemIDplus
meta-Tetrachlorophthalodinitrile ChemIDplus
Tetrachloroisophthalonitrile KEGG COMPOUND
TPN KEGG COMPOUND
Brand Name Source
Daconil KEGG COMPOUND
Database Links Databases
C11037 KEGG COMPOUND
chlorothalonil Alan Wood's Pesticides
Chlorothalonil Wikipedia
US3290353 Patent
US3652637 Patent
View more database links
Registry Numbers Types Sources
1897-45-6 CAS Registry Number KEGG COMPOUND
1897-45-6 CAS Registry Number NIST Chemistry WebBook
1978326 Beilstein Registry Number Beilstein
1978326 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
11016668 PubMed citation CiteXplore
14575671 PubMed citation CiteXplore
17482661 PubMed citation CiteXplore
23116300 PubMed citation CiteXplore
23866729 PubMed citation CiteXplore
24455968 PubMed citation CiteXplore
24984836 PubMed citation CiteXplore
24990551 PubMed citation CiteXplore
Last Modified
21 July 2015