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

ChEBI IDCHEBI:27903
ChEBI Name(2,4,5-trichlorophenoxy)acetic acid
Stars
DefinitionA chlorophenoxyacetic acid that is phenoxyacetic acid in which the ring hydrogens at postions 2, 4 and 5 are substituted by chlorines.
Secondary ChEBI IDCHEBI:897
Last Modified18 November 2019
DownloadsMolfile
FormulaC8H5Cl3O3
Net Charge0
Average Mass255.484
Monoisotopic Mass253.93043
SMILESO=C(O)COc1cc(Cl)c(Cl)cc1Cl
InChIInChI=1S/C8H5Cl3O3/c9-4-1-6(11)7(2-5(4)10)14-3-8(12)13/h1-2H,3H2,(H,12,13)
InChIKeySMYMJHWAQXWPDB-UHFFFAOYSA-N
Wikipedia
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:
defoliant  A herbicide which when sprayed or dusted on plants causes its leaves to fall off.
phenoxy herbicide  Any member of the class of herbicides whose members contain a phenoxy or substituted phenoxy group.
ChEBI Ontology
Outgoing Relation(s)
(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 Relation(s)
(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  Source
2,4,5-Trichlorophenoxyacetic acidKEGG COMPOUND
TrioxoneNIST Chemistry WebBook
2,4,5-TChemIDplus
Esteron 245NIST Chemistry WebBook
2,4,5-TrichlorphenoxyessigsäureChEBI
(2,4,5-Trichlorphenoxy)essigsäureChEBI
Manual XrefsDatabases
C07100KEGG COMPOUND
CPD-10896MetaCyc
2,4,5-Trichlorophenoxyacetic_acidWikipedia
2,4,5-tAlan Wood's Pesticides
LSM-24946LINCS
1532PPDB
Registry NumbersSources
Gmelin:434052Gmelin
Reaxys:2055620Reaxys
CAS:93-76-5KEGG COMPOUND
CAS:93-76-5NIST Chemistry WebBook
CAS:93-76-5ChemIDplus
Citations