chlorothalonil (CHEBI:3639)

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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

Average Mass

265.90988

Monoisotopic Mass

263.88156

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 )

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	UniProt
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

Last Modified

24 July 2020