EMBL-EBI | Chemical Biology | ChEBI

Example searches: iron*, InChI=1S/CH4O/c1-2/h2H,1H3, caffeine | Advanced Search

CHEBI:3639 - chlorothalonil

ChEBI IDCHEBI:3639
ChEBI Namechlorothalonil
Stars
DefinitionA 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.
Last Modified24 July 2020
DownloadsMolfile
FormulaC8Cl4N2
Net Charge0
Average Mass265.914
Monoisotopic Mass263.88156
SMILESN#Cc1c(Cl)c(Cl)c(Cl)c(C#N)c1Cl
InChIInChI=1S/C8Cl4N2/c9-5-3(1-13)6(10)8(12)7(11)4(5)2-14
InChIKeyCRQQGFGUEAVUIL-UHFFFAOYSA-N
Wikipedia
Roles Classification
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
Applications:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
fungicide  A substance used to destroy fungal pests.
ChEBI Ontology
Outgoing Relation(s)
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  Source
ChlorothalonilKEGG COMPOUND
TetrachloroisophthalonitrileKEGG COMPOUND
1,3-DicyanotetrachlorobenzeneChemIDplus
2,4,5,6-Tetrachloro-3-cyanobenzonitrileChemIDplus
m-TCPNChemIDplus
m-TetrachlorophthalonitrileChemIDplus
Brand Name  Source
DaconilKEGG COMPOUND
UniProt Name  Source
chlorothalonilUniProt
Manual XrefsDatabases
C11037KEGG COMPOUND
ChlorothalonilWikipedia
chlorothalonilAlan Wood's Pesticides
US3290353Patent
US3652637Patent
150PPDB
Registry NumbersSources
Reaxys:1978326Reaxys
CAS:1897-45-6KEGG COMPOUND
CAS:1897-45-6NIST Chemistry WebBook
Citations