Quizalofop-ethyl (CHEM002880)

Record Information
Version1.0
Creation Date2013-04-25 07:56:54 UTC
Update Date2026-08-20 02:13:51 UTC
Accession NumberCHEM002880
Identification
Common NameQuizalofop-ethyl
ClassSmall Molecule
Description
Quizalofop-ethyl is a selective, postemergence phenoxy herbicide. It is used to control annual and perennial grass weeds in potatoes, soybeans, sugar beets, peanuts vegetables, cotton and flax. The compound is absorbed from the leaf surface and is moved throughout the plant. It accumulates in the active growing regions of stems and roots.
Contaminant Sources
  • Clean Air Act Chemicals
  • HPV EPA Chemicals
  • My Exposome Chemicals
  • STOFF IDENT Compounds
  • T3DB toxins
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • Ester
  • Ether
  • Herbicide
  • Organic Compound
  • Organochloride
  • Pesticide
  • Synthetic Compound
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
Ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionateChEBI
Ethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propionic acidGenerator
Quizalofop-ethyl, (R)-isomerMeSH
Quizalofop-ethyl, (S)-isomerMeSH
Quizalofop-p-ethylMeSH
Chemical FormulaC19H17ClN2O4
Average Molecular Mass372.802 g/mol
Monoisotopic Mass372.088 g/mol
CAS Registry Number76578-14-8
IUPAC Nameethyl 2-{4-[(6-chloroquinoxalin-2-yl)oxy]phenoxy}propanoate
Traditional Namequizalofop-P-ethyl
SMILESCCOC(=O)C(C)OC1=CC=C(OC2=NC3=C(C=C(Cl)C=C3)N=C2)C=C1
InChI IdentifierInChI=1S/C19H17ClN2O4/c1-3-24-19(23)12(2)25-14-5-7-15(8-6-14)26-18-11-21-17-10-13(20)4-9-16(17)22-18/h4-12H,3H2,1-2H3
InChI KeyOSUHJPCHFDQAIT-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 2-phenoxypropionic acid esters. These are aromatic compounds hat contain a phenol ether attached to the C2-atom of a phenylpropionic acid ester.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub Class2-phenoxypropionic acid esters
Direct Parent2-phenoxypropionic acid esters
Alternative Parents
Substituents
  • 2-phenoxypropionic acid ester
  • Diaryl ether
  • Phenoxyacetate
  • Diazanaphthalene
  • Quinoxaline
  • Phenol ether
  • Phenoxy compound
  • Alkyl aryl ether
  • Aryl chloride
  • Aryl halide
  • Pyrazine
  • Heteroaromatic compound
  • Carboxylic acid ester
  • Azacycle
  • Carboxylic acid derivative
  • Organoheterocyclic compound
  • Ether
  • Monocarboxylic acid or derivatives
  • Organohalogen compound
  • Carbonyl group
  • Organopnictogen compound
  • Organic nitrogen compound
  • Hydrocarbon derivative
  • Organic oxide
  • Organochloride
  • Organonitrogen compound
  • Organooxygen compound
  • Organic oxygen compound
  • Aromatic heteropolycyclic compound
Molecular FrameworkAromatic heteropolycyclic 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 Solubility0.0093 g/LALOGPS
logP4.26ALOGPS
logP4.39ChemAxon
logS-4.6ALOGPS
pKa (Strongest Basic)0.058ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count0ChemAxon
Polar Surface Area70.54 ŲChemAxon
Rotatable Bond Count7ChemAxon
Refractivity95.37 m³·mol⁻¹ChemAxon
Polarizability37.44 ųChemAxon
Number of Rings3ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
Veber's RuleNoChemAxon
MDDR-like RuleYesChemAxon
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 IDHMDB0257063
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkNot Available
Chemspider ID48336
ChEBI ID137937
PubChem Compound IDNot Available
Kegg Compound IDC18530
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References