CHEBI:27903 - (2,4,5-trichlorophenoxy)acetic acid

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ChEBI Name (2,4,5-trichlorophenoxy)acetic acid
ChEBI ID CHEBI:27903
Definition A chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2, 4 and 5 are substituted by chlorines.
Stars This entity has been manually annotated by the ChEBI Team.
Secondary ChEBI IDs CHEBI:897
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Formula C8H5Cl3O3
Net Charge 0
Average Mass 255.48160
Monoisotopic Mass 253.93043
InChI InChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)
InChIKey SMYMJHWAQXWPDB-UHFFFAOYSA-N
SMILES OC(=O)COc1cc(Cl)c(Cl)cc1Cl
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): phenoxy herbicide
Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group.
defoliant
A herbicide which when sprayed or dusted on plants causes its leaves to fall off.
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ChEBI Ontology
Outgoing (2,4,5-trichlorophenoxy)acetic acid (CHEBI:27903) has role defoliant (CHEBI:23582)
(2,4,5-trichlorophenoxy)acetic acid (CHEBI:27903) has role phenoxy herbicide (CHEBI:60575)
(2,4,5-trichlorophenoxy)acetic acid (CHEBI:27903) has role synthetic auxin (CHEBI:26841)
(2,4,5-trichlorophenoxy)acetic acid (CHEBI:27903) is a chlorophenoxyacetic acid (CHEBI:23152)
(2,4,5-trichlorophenoxy)acetic acid (CHEBI:27903) is a trichlorobenzene (CHEBI:27096)
(2,4,5-trichlorophenoxy)acetic acid (CHEBI:27903) is conjugate acid of (2,4,5-trichlorophenoxy)acetate (CHEBI:19331)
Incoming (2,4,5-trichlorophenoxy)acetate (CHEBI:19331) is conjugate base of (2,4,5-trichlorophenoxy)acetic acid (CHEBI:27903)
IUPAC Name
(2,4,5-trichlorophenoxy)acetic acid
Synonyms Sources
(2,4,5-Trichlorphenoxy)essigsäure ChEBI
2,4,5-T ChemIDplus
2,4,5-T KEGG COMPOUND
2,4,5-Trichlorophenoxyacetic acid KEGG COMPOUND
2,4,5-Trichlorphenoxyessigsäure ChEBI
Esteron 245 NIST Chemistry WebBook
Trioxone NIST Chemistry WebBook
Manual Xrefs Databases
1532 PPDB
2,4,5-t Alan Wood's Pesticides
2,4,5-Trichlorophenoxyacetic_acid Wikipedia
C07100 KEGG COMPOUND
CPD-10896 MetaCyc
LSM-24946 LINCS
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Registry Numbers Types Sources
2055620 Beilstein Registry Number ChemIDplus
2055620 Reaxys Registry Number Reaxys
434052 Gmelin Registry Number Gmelin
93-76-5 CAS Registry Number KEGG COMPOUND
93-76-5 CAS Registry Number NIST Chemistry WebBook
93-76-5 CAS Registry Number ChemIDplus
Citations Waiting for Citations Types Sources
23085749 PubMed citation Europe PMC
23167922 PubMed citation Europe PMC
Last Modified
18 November 2019