CHEBI:81981 - chlorotoluron

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ChEBI Name chlorotoluron
ChEBI ID CHEBI:81981
Definition A 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.
Stars This entity has been manually annotated by the ChEBI Team.
Submitter Jens Wiebensohn
Secondary ChEBI IDs CHEBI:83570
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Formula C10H13ClN2O
Net Charge 0
Average Mass 212.67600
Monoisotopic Mass 212.072
InChI InChI=1S/C10H13ClN2O/c1-7-4-5-8(6-9(7)11)12-10(14)13(2)3/h4-6H,1-3H3,(H,12,14)
InChIKey JXCGFZXSOMJFOA-UHFFFAOYSA-N
SMILES CN(C)C(=O)Nc1ccc(C)c(Cl)c1
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Biological Role(s): 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.
Application(s): herbicide
A substance used to destroy plant pests.
agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
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ChEBI Ontology
Outgoing 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 Sources
3-(3-chloro-p-tolyl)-1,1-dimethylurea NIST Chemistry WebBook
chlortoluron NIST Chemistry WebBook
N'-(3-chloro-4-methylphenyl)-N,N-dimethylurea Alan Wood's Pesticides
Manual Xrefs Databases
151 PPDB
C18817 KEGG COMPOUND
chlorotoluron Alan Wood's Pesticides
Chlortoluron Wikipedia
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Registry Numbers Types Sources
15545-48-9 CAS Registry Number ChemIDplus
15545-48-9 CAS Registry Number NIST Chemistry WebBook
2647688 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
22927226 PubMed citation Europe PMC
23819841 PubMed citation Europe PMC
24485315 PubMed citation Europe PMC
Last Modified
26 November 2016