Forchlorfenuron (CHEM003473)

Record Information
Version1.0
Creation Date2014-08-29 06:51:43 UTC
Update Date2026-08-18 15:32:53 UTC
Accession NumberCHEM003473
Identification
Common NameForchlorfenuron
ClassSmall Molecule
Description
Forchlorfenuron is a diphenylurea-derivative cytokinin growth stimulating substance used as plant growth regulator (PGR) to enhance fruit set, size and increase yields. It is absorbed by most plant parts and acts synergistically with natural auxins to promote cell division and growth. It has been approved for use on kiwi fruit and grapes in the USA, and it has been associated with exploding watermelons in China. Forchlorfenuronis is commonly used in horticulture to stimulate the growth of kiwi fruit and grapes.
Contaminant Sources
  • STOFF IDENT Compounds
  • T3DB toxins
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • Amine
  • Food Toxin
  • Organic Compound
  • Organochloride
  • Plant Growth Regulator
  • Synthetic Compound
Chemical Structure
MOLSDFPDBSMILESInChI
Synonyms
ValueSource
4PU30 CPDMeSH
N-(2-chloro-4-Pyridyl)-n'-phenylureaMeSH
Chemical FormulaC12H10ClN3O
Average Molecular Mass247.680 g/mol
Monoisotopic Mass247.051 g/mol
CAS Registry Number68157-60-8
IUPAC NameN-(2-chloropyridin-4-yl)-N'-phenylcarbamimidic acid
Traditional Nameforchlorfenuron
SMILESOC(NC1=CC(Cl)=NC=C1)=NC1=CC=CC=C1
InChI IdentifierInChI=1S/C12H10ClN3O/c13-11-8-10(6-7-14-11)16-12(17)15-9-4-2-1-3-5-9/h1-8H,(H2,14,15,16,17)
InChI KeyGPXLRLUVLMHHIK-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as 2-halopyridines. These are organic compounds containing a pyridine ring substituted at the 2-position by a halogen atom.
KingdomOrganic compounds
Super ClassOrganoheterocyclic compounds
ClassPyridines and derivatives
Sub ClassHalopyridines
Direct Parent2-halopyridines
Alternative Parents
Substituents
  • 2-halopyridine
  • Aryl chloride
  • Aryl halide
  • Monocyclic benzene moiety
  • Benzenoid
  • Heteroaromatic compound
  • Isourea
  • Organic 1,3-dipolar compound
  • Propargyl-type 1,3-dipolar organic compound
  • Carboximidic acid derivative
  • Azacycle
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Organochloride
  • Organohalogen compound
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Cytoskeleton
  • Membrane
  • Membrane Fraction
  • Microtubule
  • Plasma Membrane
  • Tubulin
Biofluid LocationsNot Available
Tissue LocationsNot Available
Pathways
NameSMPDB LinkKEGG Link
ProteasomeNot AvailableNot 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 Solubility0.21 g/LALOGPS
logP1.72ALOGPS
logP3.35ChemAxon
logS-3.1ALOGPS
pKa (Strongest Acidic)7.65ChemAxon
pKa (Strongest Basic)5.5ChemAxon
Physiological Charge1ChemAxon
Hydrogen Acceptor Count4ChemAxon
Hydrogen Donor Count2ChemAxon
Polar Surface Area57.51 ŲChemAxon
Rotatable Bond Count2ChemAxon
Refractivity70.52 m³·mol⁻¹ChemAxon
Polarizability24.51 ųChemAxon
Number of Rings2ChemAxon
BioavailabilityYesChemAxon
Rule of FiveYesChemAxon
Ghose FilterYesChemAxon
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/SourcesForchlorfenuron is a diphenylurea-derivative cytokinin growth stimulating substance used as plant growth regulator (PGR) to enhance fruit set, size and increase yields. Forchlorfenuronis is commonly used in horticulture to stimulate the growth of kiwi fruit and grapes.
Minimum Risk LevelNot Available
Health EffectsNot Available
SymptomsNot Available
TreatmentNot Available
Concentrations
Not Available
External Links
DrugBank IDNot Available
HMDB IDHMDB0252436
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkForchlorfenuron
Chemspider ID84301
ChEBI IDNot Available
PubChem Compound IDNot Available
Kegg Compound IDC18604
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References