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> Main
CHEBI:81856 - dicamba
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ChEBI Ontology
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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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Read full article at Wikipedia
Formula
C8H6Cl2O3
Net Charge
0
Average Mass
221.030
Monoisotopic Mass
219.96940
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
C1(=CC=C(C(=C1OC)C(O)=O)Cl)Cl
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 (Br
o
nsted 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.
View more via ChEBI Ontology
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
dicamba-methyl (
CHEBI:194161
)
has functional parent
dicamba (
CHEBI:81856
)
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
HMDB0251180
HMDB
US2014329681
Patent
View more database links
Registry Numbers
Types
Sources
1918-00-9
CAS Registry Number
KEGG COMPOUND
1918-00-9
CAS Registry Number
NIST Chemistry WebBook
1918-00-9
CAS Registry Number
ChemIDplus
2453039
Reaxys Registry Number
Reaxys
Citations
Types
Sources
23726069
PubMed citation
Europe PMC
24351123
PubMed citation
Europe PMC
24420721
PubMed citation
Europe PMC
34817161
PubMed citation
Europe PMC
35170207
PubMed citation
Europe PMC
35926599
PubMed citation
Europe PMC
36033860
PubMed citation
Europe PMC
36181421
PubMed citation
Europe PMC
36205187
PubMed citation
Europe PMC
36297822
PubMed citation
Europe PMC
IND607347510
Agricola citation
Europe PMC
Last Modified
16 December 2022