CHEBI:81946 - 2,3,6-TBA

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ChEBI Name 2,3,6-TBA
Definition A chlorobenzoic acid that is benzoic acid in which the hydrogens at positions 2, 3, and 6 have been replaced by chlorines. A synthetic auxin, it is used as a post-emergence herbicide to control weeds in various cereal crops. Not approved for use within the European Union.
Stars This entity has been manually annotated by the ChEBI Team.
Supplier Information
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Formula C7H3Cl3O2
Net Charge 0
Average Mass 225.457
Monoisotopic Mass 223.91986
InChI InChI=1S/C7H3Cl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
SMILES C1=CC(=C(C(=C1Cl)C(O)=O)Cl)Cl
Roles Classification
Chemical Role(s): 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.
Application(s): herbicide
A substance used to destroy plant pests.
An agrochemical is a substance that is used in agriculture or horticulture.
View more via ChEBI Ontology
ChEBI Ontology
Outgoing 2,3,6-TBA (CHEBI:81946) has role agrochemical (CHEBI:33286)
2,3,6-TBA (CHEBI:81946) has role herbicide (CHEBI:24527)
2,3,6-TBA (CHEBI:81946) has role synthetic auxin (CHEBI:26841)
2,3,6-TBA (CHEBI:81946) is a chlorobenzoic acid (CHEBI:23134)
2,3,6-TBA (CHEBI:81946) is a trichlorobenzene (CHEBI:27096)
2,3,6-trichlorobenzoic acid
Synonym Source
2,3,6-TCBA NIST Chemistry WebBook
Manual Xrefs Databases
2,3,6-tba Alan Wood's Pesticides
View more database links
Registry Numbers Types Sources
1873934 Reaxys Registry Number Reaxys
50-31-7 CAS Registry Number NIST Chemistry WebBook
50-31-7 CAS Registry Number Alan Wood's Pesticides
50-31-7 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
13885914 PubMed citation Europe PMC
16655176 PubMed citation Europe PMC
18967527 PubMed citation Europe PMC
25514054 PubMed citation Europe PMC
IND83108191 Agricola citation Europe PMC
Last Modified
24 August 2017