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

Main ChEBI Ontology Automatic Xrefs Reactions Pathways Models
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
Supplier Information ChemicalBook:CB6851738
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Ozone () (or trioxygen) is an inorganic molecule with the chemical formula O3. It is a pale blue gas with a distinctively pungent smell. It is an allotrope of oxygen that is much less stable than the diatomic allotrope O2, breaking down in the lower atmosphere to O2 (dioxygen). Ozone is formed from dioxygen by the action of ultraviolet (UV) light and electrical discharges within the Earth's atmosphere. It is present in very low concentrations throughout the atmosphere, with its highest concentration high in the ozone layer of the stratosphere, which absorbs most of the Sun's ultraviolet (UV) radiation. Ozone's odor is reminiscent of chlorine, and detectable by many people at concentrations of as little as 0.1 ppm in air. Ozone's O3 structure was determined in 1865. The molecule was later proven to have a bent structure and to be weakly diamagnetic. At standard temperature and pressure, ozone is a pale blue gas that condenses at cryogenic temperatures to a dark blue liquid and finally a violet-black solid. Ozone's instability with regard to more common dioxygen is such that both concentrated gas and liquid ozone may decompose explosively at elevated temperatures, physical shock, or fast warming to the boiling point. It is therefore used commercially only in low concentrations. Ozone is a powerful oxidizing agent (far more so than dioxygen) and has many industrial and consumer applications related to oxidation. This same high oxidizing potential, however, causes ozone to damage mucous and respiratory tissues in animals, and also tissues in plants, above concentrations of about 0.1 ppm. While this makes ozone a potent respiratory hazard and pollutant near ground level, a higher concentration in the ozone layer (from two to eight ppm) is beneficial, preventing damaging UV light from reaching the Earth's surface.
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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
View more database links
Registry Numbers Types Sources
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 Types Sources
23085749 PubMed citation Europe PMC
23167922 PubMed citation Europe PMC
Last Modified
18 November 2019