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CHEBI:47617 - 4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one

Default Structure
ChEBI IDCHEBI:47617
ChEBI Name4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one
Stars
ASCII Name4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one
DefinitionA member of the class of 2-benzofurans that is 2-benzofuran-1(3H)-one in which all or the hydrogens attached to the benzene ring are replaced by chlorines. A fungicide used for the control of rice blast, it is not approved for use within the European Union.
Last Modified6 July 2015
DownloadsMolfile
FormulaC8H2Cl4O2
Net Charge0
Average Mass271.914
Monoisotopic Mass269.88089
SMILESO=C1OCc2c(Cl)c(Cl)c(Cl)c(Cl)c21
InChIInChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2
InChIKeyNMWKWBPNKPGATC-UHFFFAOYSA-N
Roles Classification
Chemical Role:
protic solvent  A polar solvent that is capable of acting as a hydron (proton) donor.
Biological Roles:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
metabolite  Any intermediate or product resulting from metabolism. The term 'metabolite' subsumes the classes commonly known as primary and secondary metabolites.
Applications:
antifungal agrochemical  Any substance used in acriculture, horticulture, forestry, etc. for its fungicidal properties.
melanin synthesis inhibitor  A depigmentation agent which inhibits the synthesis of melanin.
protic solvent  A polar solvent that is capable of acting as a hydron (proton) donor.
ChEBI Ontology
Outgoing Relation(s)
4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one (CHEBI:47617) has functional parent 2-benzofuran-1(3H)-one (CHEBI:38085)
4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one (CHEBI:47617) has role antifungal agrochemical (CHEBI:86328)
4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one (CHEBI:47617) has role melanin synthesis inhibitor (CHEBI:64933)
4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one (CHEBI:47617) is a organic heterobicyclic compound (CHEBI:27171)
4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one (CHEBI:47617) is a propan-1-ol (CHEBI:28831)
4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one (CHEBI:47617) is a tetrachlorobenzene (CHEBI:26888)
4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one (CHEBI:47617) is a γ-lactone (CHEBI:37581)
IUPAC Name 
4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one
Synonyms  Source
4,5,6,7-tetrachloro-1(3H)-isobenzofuranoneChemIDplus
4,5,6,7-tetrachlorophthalideAlan Wood's Pesticides
Bayer 96610ChemIDplus
fthalideAlan Wood's Pesticides
KF-32ChemIDplus
Brand Name  Source
RabcideChemIDplus
Manual XrefsDatabases
1212PPDB
C18611KEGG COMPOUND
PHHPDBeChem
phthalideAlan Wood's Pesticides
Registry NumbersSources
Reaxys:182477Reaxys
CAS:27355-22-2NIST Chemistry WebBook
CAS:27355-22-2KEGG COMPOUND
CAS:27355-22-2ChemIDplus
Citations