CHEBI:81856 - dicamba

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ChEBI Name dicamba
ChEBI ID CHEBI:81856
Definition A methoxybenzoic acid that is O-methylsalicylic acid substituted by chloro groups at positions 3 and 6.
Stars This entity has been manually annotated by the ChEBI Team.
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Formula C8H6Cl2O3
Net Charge 0
Average Mass 221.03700
Monoisotopic Mass 219.969
InChI InChI=1S/C8H6Cl2O3/c1-13-7-5(10)3-2-4(9)6(7)8(11)12/h2-3H,1H3,(H,11,12)
InChIKey IWEDIXLBFLAXBO-UHFFFAOYSA-N
SMILES COc1c(Cl)ccc(Cl)c1C(O)=O
Roles Classification
Chemical Role(s): environmental contaminant
Any minor or unwanted substance introduced into the environment that can have undesired effects.
Bronsted acid
A molecular entity capable of donating a hydron to an acceptor (Bronsted base).
(via oxoacid )
Biological Role(s): synthetic auxin
A synthetic compound exhibiting auxin activity.
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 dicamba (CHEBI:81856) has role agrochemical (CHEBI:33286)
dicamba (CHEBI:81856) has role environmental contaminant (CHEBI:78298)
dicamba (CHEBI:81856) has role herbicide (CHEBI:24527)
dicamba (CHEBI:81856) has role synthetic auxin (CHEBI:26841)
dicamba (CHEBI:81856) has role xenobiotic (CHEBI:35703)
dicamba (CHEBI:81856) is a dichlorobenzene (CHEBI:23697)
dicamba (CHEBI:81856) is a methoxybenzoic acid (CHEBI:25238)
dicamba (CHEBI:81856) is conjugate acid of 3,6-dichloro-2-methoxybenzoate (CHEBI:141349)
Incoming 3,6-dichloro-2-methoxybenzoate (CHEBI:141349) is conjugate base of dicamba (CHEBI:81856)
IUPAC Name
3,6-dichloro-2-methoxybenzoic acid
Synonym Source
3,6-dichloro-o-anisic acid NIST Chemistry WebBook
Manual Xrefs Databases
213 PPDB
C18597 KEGG COMPOUND
D3M PDBeChem
dicamba Alan Wood's Pesticides
Dicamba Wikipedia
US2014329681 Patent
View more database links
Registry Numbers Types Sources
1918-00-9 CAS Registry Number NIST Chemistry WebBook
1918-00-9 CAS Registry Number ChemIDplus
2453039 Reaxys Registry Number Reaxys
Citations Waiting for Citations Types Sources
23726069 PubMed citation Europe PMC
24351123 PubMed citation Europe PMC
24420721 PubMed citation Europe PMC
Last Modified
24 August 2017