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ChEBI
> Main
CHEBI:145558 - 2,4-D choline
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ChEBI Ontology
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ChEBI Name
2,4-D choline
ChEBI ID
CHEBI:145558
Definition
A quaternary ammonium salt resulting from the reaction of 2,4-D with choline. It is a post-emergence herbicide used for selective control of broadleaf weeds.
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This entity has been manually annotated by the ChEBI Team.
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Formula
C8H5Cl2O3.C5H14NO
Net Charge
0
Average Mass
324.200
Monoisotopic Mass
323.06911
InChI
InChI=1S/C8H6Cl2O3.C5H14NO/c9-
5-
1-
2-
7(6(10)
3-
5)
13-
4-
8(11)
12;1-
6(2,3)
4-
5-
7/h1-
3H,4H2,(H,11,12)
;7H,4-
5H2,1-
3H3/q;+1/p-
1
InChIKey
OXJISOJFVQITNG-UHFFFAOYSA-M
SMILES
C=1(Cl)C=C(C(OCC(=O)[O-])=CC1)Cl.[N+](CCO)(C)(C)C
Roles Classification
Biological Role
(s):
synthetic auxin
A synthetic compound exhibiting auxin activity.
Application
(s):
phenoxy herbicide
Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group.
agrochemical
An agrochemical is a substance that is used in agriculture or horticulture.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing
2,4-D choline (
CHEBI:145558
)
has part
(2,4-dichlorophenoxy)acetate (
CHEBI:19351
)
2,4-D choline (
CHEBI:145558
)
has role
agrochemical (
CHEBI:33286
)
2,4-D choline (
CHEBI:145558
)
has role
phenoxy herbicide (
CHEBI:60575
)
2,4-D choline (
CHEBI:145558
)
has role
synthetic auxin (
CHEBI:26841
)
2,4-D choline (
CHEBI:145558
)
is a
quaternary ammonium salt (
CHEBI:35273
)
IUPAC Name
2-hydroxy-
N
,
N
,
N
-trimethylethanaminium (2,4-dichlorophenoxy)acetate
Synonyms
Sources
(2-hydroxyethyl)trimethylammonium (2,4-dichlorophenoxy)acetate
Alan Wood's Pesticides
2,4-D choline salt
ChemIDplus
2-hydroxy-
N
,
N
,
N
-trimethylethan-1-aminium (2,4-dichlorophenoxy)acetate
IUPAC
Brand Name
Source
Enlist Duo
Note: (2019-12-02) Enlist Duo is a mixture of 2,4-D choline and glyphosate (the active ingredient in Roundup).
ChEBI
Manual Xref
Database
/derivatives/2,4-d-choline
Alan Wood's Pesticides
View more database links
Registry Numbers
Types
Sources
1048373-72-3
CAS Registry Number
ChemIDplus
18511959
Reaxys Registry Number
Reaxys
Citations
Types
Sources
27768529
PubMed citation
Europe PMC
28650629
PubMed citation
Europe PMC
31264502
PubMed citation
Europe PMC
IND605647260
Agricola citation
Europe PMC
IND605922801
Agricola citation
Europe PMC
IND605950017
Agricola citation
Europe PMC
IND605950076
Agricola citation
Europe PMC
IND606295315
Agricola citation
Europe PMC
IND606542277
Agricola citation
Europe PMC
Last Modified
02 December 2019