CHEBI:6482 - linuron

ChEBI IDCHEBI:6482
ChEBI Namelinuron
Stars
DefinitionA member of the class of phenylureas that is N-methyl urea substituted by a methoxy group at position 1 and a 3,4-dichlorophenyl group at position 3.
Last Modified10 December 2016
DownloadsMolfile
FormulaC9H10Cl2N2O2
Net Charge0
Average Mass249.097
Monoisotopic Mass248.01193
SMILESCON(C)C(=O)Nc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C9H10Cl2N2O2/c1-13(15-2)9(14)12-6-3-4-7(10)8(11)5-6/h3-5H,1-2H3,(H,12,14)
InChIKeyXKJMBINCVNINCA-UHFFFAOYSA-N
Roles Classification
Chemical Role:
environmental contaminant  Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role:
xenobiotic  A xenobiotic (Greek, xenos "foreign"; bios "life") is a compound that is foreign to a living organism. Principal xenobiotics include: drugs, carcinogens and various compounds that have been introduced into the environment by artificial means.
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
linuron (CHEBI:6482) has functional parent N-methyl urea (CHEBI:44383)
linuron (CHEBI:6482) has role agrochemical (CHEBI:33286)
linuron (CHEBI:6482) has role environmental contaminant (CHEBI:78298)
linuron (CHEBI:6482) has role herbicide (CHEBI:24527)
linuron (CHEBI:6482) has role xenobiotic (CHEBI:35703)
linuron (CHEBI:6482) is a dichlorobenzene (CHEBI:23697)
linuron (CHEBI:6482) is a phenylureas (CHEBI:134043)
IUPAC Name 
3-(3,4-dichlorophenyl)-1-methoxy-1-methylurea
Synonyms  Source
1-Methoxy-1-methyl-3-(3,4-dichlorophenyl)ureaChemIDplus
3-(3,4-dichlorophenyl)-1-methoxy-1-methylureaNIST Chemistry WebBook
N'-(3,4-dichlorophenyl)-N-methoxy-N-methyl UreaNIST Chemistry WebBook
Manual XrefsDatabases
419PPDB
C11007KEGG COMPOUND
linuronAlan Wood's Pesticides
Registry NumbersSources
Reaxys:2128725Reaxys
CAS:330-55-2KEGG COMPOUND
CAS:330-55-2NIST Chemistry WebBook
CAS:330-55-2ChemIDplus
Citations