Cyproconazole (CHEM003452)

Record Information
Version1.0
Creation Date2014-08-29 06:51:41 UTC
Update Date2026-08-19 10:49:32 UTC
Accession NumberCHEM003452
Identification
Common NameCyproconazole
ClassSmall Molecule
Description
Cyproconazole formula 360 SL is a water-based wood preservative that prevents decay from fungi in above-ground applications. It is not intended to protect wood that is in contact with the ground. Where there is the potential for insect attack, a registered insecticide should also be used.
Contaminant Sources
  • My Exposome Chemicals
  • STOFF IDENT Compounds
  • T3DB toxins
  • ToxCast & Tox21 Chemicals
Contaminant Type
  • Amine
  • Insecticide
  • Organic Compound
  • Organochloride
  • Pesticide
  • Preservative
  • Synthetic Compound
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC15H18ClN3O
Average Molecular Mass291.776 g/mol
Monoisotopic Mass291.114 g/mol
CAS Registry Number94361-06-5
IUPAC Name2-(4-chlorophenyl)-3-cyclopropyl-1-(1H-1,2,4-triazol-1-yl)butan-2-ol
Traditional Namecyproconazole
SMILESCC(C1CC1)C(O)(CN1C=NC=N1)C1=CC=C(Cl)C=C1
InChI IdentifierInChI=1S/C15H18ClN3O/c1-11(12-2-3-12)15(20,8-19-10-17-9-18-19)13-4-6-14(16)7-5-13/h4-7,9-12,20H,2-3,8H2,1H3
InChI KeyUFNOUKDBUJZYDE-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as phenylpropanes. These are organic compounds containing a phenylpropane moiety.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassPhenylpropanes
Direct ParentPhenylpropanes
Alternative Parents
Substituents
  • Phenylpropane
  • Chlorobenzene
  • Halobenzene
  • Aryl chloride
  • Aryl halide
  • Heteroaromatic compound
  • Azole
  • Tertiary alcohol
  • 1,2,4-triazole
  • Organoheterocyclic compound
  • Azacycle
  • Hydrocarbon derivative
  • Organic nitrogen compound
  • Organooxygen compound
  • Organonitrogen compound
  • Organochloride
  • Organohalogen compound
  • Alcohol
  • Organopnictogen compound
  • Organic oxygen compound
  • Aromatic alcohol
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Biological Properties
StatusDetected and Not Quantified
OriginExogenous
Cellular Locations
  • Extracellular
  • Membrane
Biofluid LocationsNot Available
Tissue LocationsNot Available
Pathways
NameSMPDB LinkKEGG Link
Steroid BiosynthesisSMP00023 map00100
Retinol MetabolismSMP00074 map00830
Cell cycleNot Availablemap04110
PhenothiazinesNot AvailableNot Available
Abc transportersNot Availablemap02010
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 Solubility0.12 g/LALOGPS
logP3.08ALOGPS
logP2.85ChemAxon
logS-3.4ALOGPS
pKa (Strongest Acidic)13.34ChemAxon
pKa (Strongest Basic)2.26ChemAxon
Physiological Charge0ChemAxon
Hydrogen Acceptor Count3ChemAxon
Hydrogen Donor Count1ChemAxon
Polar Surface Area50.94 ŲChemAxon
Rotatable Bond Count5ChemAxon
Refractivity90.5 m³·mol⁻¹ChemAxon
Polarizability29.97 ųChemAxon
Number of Rings3ChemAxon
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/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 IDHMDB0250696
FooDB IDNot Available
Phenol Explorer IDNot Available
KNApSAcK IDNot Available
BiGG IDNot Available
BioCyc IDNot Available
METLIN IDNot Available
PDB IDNot Available
Wikipedia LinkCyproconazole
Chemspider ID77706
ChEBI ID83748
PubChem Compound ID86132
Kegg Compound IDC18456
YMDB IDNot Available
ECMDB IDNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General References