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

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ChEBI Name 4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one
ChEBI ID CHEBI:47617
ChEBI ASCII Name 4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C8H2Cl4O2
Net Charge 0
Average Mass 271.91200
Monoisotopic Mass 269.88089
InChI InChI=1S/C8H2Cl4O2/c9-4-2-1-14-8(13)3(2)5(10)7(12)6(4)11/h1H2
InChIKey NMWKWBPNKPGATC-UHFFFAOYSA-N
SMILES Clc1c2COC(=O)c2c(Cl)c(Cl)c1Cl
Roles Classification
Chemical Role(s): protic solvent
A polar solvent that is capable of acting as a hydron (proton) donor.
(via propan-1-ol )
Biological Role(s): 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.
(via propan-1-ol )
Application(s): 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.
(via propan-1-ol )
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 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 γ-lactone (CHEBI:37581)
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)
IUPAC Name
4,5,6,7-tetrachloro-2-benzofuran-1(3H)-one
Synonyms Sources
4,5,6,7-tetrachloro-1(3H)-isobenzofuranone ChemIDplus
4,5,6,7-tetrachlorophthalide Alan Wood's Pesticides
Bayer 96610 ChemIDplus
fthalide Alan Wood's Pesticides
KF-32 ChemIDplus
Brand Name Source
Rabcide ChemIDplus
Manual Xrefs Databases
1212 PPDB
C18611 KEGG COMPOUND
PHH PDBeChem
phthalide Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
182477 Reaxys Registry Number Reaxys
27355-22-2 CAS Registry Number KEGG COMPOUND
27355-22-2 CAS Registry Number NIST Chemistry WebBook
27355-22-2 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
18670728 PubMed citation Europe PMC
18966786 PubMed citation Europe PMC
19218402 PubMed citation Europe PMC
23313696 PubMed citation Europe PMC
Last Modified
06 July 2015