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CHEBI:81946 - 2,3,6-TBA

ChEBI IDCHEBI:81946
ChEBI Name2,3,6-TBA
Stars
DefinitionA chlorobenzoic acid that is benzoic acid in which the hydrogens at positions 2, 3, and 6 have been replaced by chlorines.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.
Last Modified24 August 2017
DownloadsMolfile
FormulaC7H3Cl3O2
Net Charge0
Average Mass225.458
Monoisotopic Mass223.91986
SMILESO=C(O)c1c(Cl)ccc(Cl)c1Cl
InChIInChI=1S/C7H3Cl3O2/c8-3-1-2-4(9)6(10)5(3)7(11)12/h1-2H,(H,11,12)
InChIKeyXZIDTOHMJBOSOX-UHFFFAOYSA-N
Roles Classification
Chemical Role:
Bronsted acid  A molecular entity capable of donating a hydron to an acceptor (Brønsted base).
Biological Role:
synthetic auxin  A synthetic compound exhibiting auxin activity.
Applications:
agrochemical  An agrochemical is a substance that is used in agriculture or horticulture.
herbicide  A substance used to destroy plant pests.
ChEBI Ontology
Outgoing Relation(s)
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)
IUPAC Name 
2,3,6-trichlorobenzoic acid
Synonym  Source
2,3,6-TCBANIST Chemistry WebBook
Manual XrefsDatabases
C18767KEGG COMPOUND
2,3,6-tbaAlan Wood's Pesticides
3PPDB
Registry NumbersSources
Reaxys:1873934Reaxys
CAS:50-31-7KEGG COMPOUND
CAS:50-31-7Alan Wood's Pesticides
CAS:50-31-7ChemIDplus
CAS:50-31-7NIST Chemistry WebBook
Citations