chlorotoluron (CHEBI:81981)

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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	jewie

Secondary ChEBI IDs	CHEBI:83570

Supplier Information	ChemicalBook:CB9406692, eMolecules:509668, ZINC000000069747

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Formula

C10H13ClN2O

Net Charge

Average Mass

212.67600

Monoisotopic Mass

212.07164

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.

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
chlorotoluron	UniProt
chlortoluron	NIST Chemistry WebBook
N'-(3-chloro-4-methylphenyl)-N,N-dimethylurea	Alan Wood's Pesticides

Citations

Last Modified

29 October 2020