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CHEBI:81981 - chlorotoluron

ChEBI IDCHEBI:81981
ChEBI Namechlorotoluron
Stars
DefinitionA member of the class of phenylureas that is urea in which one of the nitrogens is substituted by two methyl groups while the other is substituted by a 3-chloro-4-methylphenyl group. A herbicide that is non-toxic to honeybees but moderately toxic to mammals, birds, earthworms and most aquatic organisms.
Secondary ChEBI IDCHEBI:83570
Last Modified29 October 2020
Submitterjewie
DownloadsMolfile
FormulaC10H13ClN2O
Net Charge0
Average Mass212.680
Monoisotopic Mass212.07164
SMILESCc1ccc(NC(=O)N(C)C)cc1Cl
InChIInChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
InChIKeyJXCGFZXSOMJFOA-UHFFFAOYSA-N
Wikipedia
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)
chlorotoluron (CHEBI:81981) has role agrochemical (CHEBI:33286)
chlorotoluron (CHEBI:81981) has role environmental contaminant (CHEBI:78298)
chlorotoluron (CHEBI:81981) has role herbicide (CHEBI:24527)
chlorotoluron (CHEBI:81981) has role xenobiotic (CHEBI:35703)
chlorotoluron (CHEBI:81981) is a monochlorobenzenes (CHEBI:83403)
chlorotoluron (CHEBI:81981) is a phenylureas (CHEBI:134043)
IUPAC Name 
3-(3-chloro-4-methylphenyl)-1,1-dimethylurea
Synonyms  Source
3-(3-chloro-p-tolyl)-1,1-dimethylureaNIST Chemistry WebBook
chlortoluronNIST Chemistry WebBook
N'-(3-chloro-4-methylphenyl)-N,N-dimethylureaAlan Wood's Pesticides
UniProt Name  Source
chlorotoluronUniProt
Manual XrefsDatabases
C18817KEGG COMPOUND
chlorotoluronAlan Wood's Pesticides
ChlortoluronWikipedia
151PPDB
Registry NumbersSources
Reaxys:2647688Reaxys
CAS:15545-48-9KEGG COMPOUND
CAS:15545-48-9NIST Chemistry WebBook
CAS:15545-48-9ChemIDplus
Citations