Triclopyr (CHEM003505)

Record Information
Version1.0
Creation Date2014-08-29 06:51:46 UTC
Update Date2026-08-24 00:55:50 UTC
Accession NumberCHEM003505
Identification
Common NameTriclopyr
ClassSmall Molecule
Description
Triclopyr is a systemic, foliar herbicide in the pyridine group for perennial broad-leaved and woody weed control on uncultivated areas, grassland, plantations and rice fields. It is used to control broadleaf weeds while leaving grasses and conifers unaffected. It is selective, systemic, and absorbed through roots and foliage. It is a synthetic auxin.
Contaminant Sources
  • STOFF IDENT Compounds
  • T3DB toxins
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • Ether
  • Herbicide
  • Household Toxin
  • Organic Compound
  • Organochloride
  • Pesticide
  • Synthetic Compound
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Triclopyr triethylamine saltMeSH
3,5,6-trichloro-2-Pyridyloxyacetic acidMeSH
GarlonMeSH
Release brand OF triclopyrMeSH
Triclopyr-(3,5,6-trichloro-2-pyridl-oxyacetic acid)MeSH
Triclopyr butoxyethyl esterMeSH
Triclopyr-triethylammoniumMeSH
Chemical FormulaC7H4Cl3NO3
Average Molecular Mass256.471 g/mol
Monoisotopic Mass254.926 g/mol
CAS Registry Number55335-06-3
IUPAC Name2-[(3,5,6-trichloropyridin-2-yl)oxy]acetic acid
Traditional Nametriclopyr
SMILESOC(=O)COC1=NC(Cl)=C(Cl)C=C1Cl
InChI IdentifierInChI=1S/C7H4Cl3NO3/c8-3-1-4(9)7(11-6(3)10)14-2-5(12)13/h1H,2H2,(H,12,13)
InChI KeyREEQLXCGVXDJSQ-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as polyhalopyridines. These are organic compounds containing a pyridine ring substituted at two or more positions by a halogen atom.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassHalopyridines
Direct ParentPolyhalopyridines
Alternative Parents
Substituents
  • Polyhalopyridine
  • Alkyl aryl ether
  • 2-halopyridine
  • Aryl chloride
  • Aryl halide
  • Heteroaromatic compound
  • Carboxylic acid derivative
  • Carboxylic acid
  • Azacycle
  • Ether
  • Monocarboxylic acid or derivatives
  • Organic nitrogen compound
  • Organochloride
  • Organohalogen compound
  • Organonitrogen compound
  • Organooxygen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Carbonyl group
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
PathwaysNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Physical Properties
StateSolid
AppearanceWhite powder.
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted Properties
PropertyValueSource
Water Solubility0.47 g/LALOGPS
logP2.54ALOGPS
logP2.7ChemAxon
logS-2.7ALOGPS
pKa (Strongest Acidic)2.28ChemAxon
pKa (Strongest Basic)-4.4ChemAxon
Physiological Charge-1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area59.42 ŲChemAxon
Rotatable Bond Count3ChemAxon
Refractivity52.24 m³·mol⁻¹ChemAxon
Polarizability20.91 ųChemAxon
Number of Rings1ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterNoChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleNoChemAxon
Spectra
Spectra
Toxicity Profile
Route of ExposureNot Available
Mechanism of ToxicityNot Available
MetabolismNot Available
Toxicity ValuesNot Available
Lethal DoseNot Available
Carcinogenicity (IARC Classification)No indication of carcinogenicity to humans (not listed by IARC).
Uses/SourcesThis is a man-made compound that is used as a pesticide.
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0259186
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkTriclopyr
Chemspider ID37801
ChEBI ID9682
PubChem Compound IDNot Available
Kegg Compound IDC11032
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References
1. https://www.ncbi.nlm.nih.gov/pubmed/?term=23688229
2. https://www.ncbi.nlm.nih.gov/pubmed/?term=24623388
3. https://www.ncbi.nlm.nih.gov/pubmed/?term=25309266