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3,5,6-Trichloro-2-pyridinol (PC001158)

Record Information
Version1.0
Creation date2018-05-02 11:46:52 UTC
Update date2018-05-04 14:26:47 UTC
FoodComEx IDPC001158
FoodDB RecordFDB019509
Chemical Information
Name3,5,6-Trichloro-2-pyridinol
DescriptionEnvironmental contaminant arising from the degradation of Chlorpyrifos HHB89-F and Triclopyr DLG07-O
CAS Number6515-38-4
Structure
Thumb
MOLSDFPDBSMILESInChI
Synonyms
SynonymSource
2-Hydroxy-3,5,6-trichloropyridinebiospider
2-Pyridinol, 3,5,6-trichloro-biospider
2,3,5-Trichloro-6-hydroxypyridinedb_source
2(1H)-Pyridinone, 3,5,6-trichloro-biospider
2(1H)-Pyridone, 3,5,6-trichloro-biospider
3,5,6 Trichloro 2-pyridinalbiospider
3,5,6-Trichloro-2-hydroxypyridinebiospider
3,5,6-trichloro-2-pyridinol sodium saltbiospider
3,5,6-Trichloro-2-pyridonebiospider
3,5,6-Trichloro-2(1H)-pyridinonedb_source
3,5,6-Trichloro-2(1H)-pyridoneHMDB
3,5,6-Trichloropyridin-2-olbiospider
3,5,6-Trichloropyridine-2-olbiospider
TCPbiospider
Chemical FormulaC5H2Cl3NO
IUPAC name3,5,6-trichloropyridin-2-ol
InChI IdentifierInChI=1S/C5H2Cl3NO/c6-2-1-3(7)5(10)9-4(2)8/h1H,(H,9,10)
InChI KeyWCYYAQFQZQEUEN-UHFFFAOYSA-N
Isomeric SMILESOC1=NC(Cl)=C(Cl)C=C1Cl
Average Molecular Weight198.434
Monoisotopic Molecular Weight196.920196812
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
  • Dihydropyridine
  • 2-halopyridine
  • Pyridinone
  • Aryl chloride
  • Aryl halide
  • Hydropyridine
  • Heteroaromatic compound
  • Lactam
  • Azacycle
  • Hydrocarbon derivative
  • Organooxygen compound
  • Organonitrogen compound
  • Organochloride
  • Organohalogen compound
  • Organic oxide
  • Organopnictogen compound
  • Organic oxygen compound
  • Organic nitrogen compound
  • Aromatic heteromonocyclic compound
Molecular FrameworkAromatic heteromonocyclic compounds
External Descriptors
Physico-Chemical Properties - Experimental
PropertyValueReference
Experimental logP3.21HANSCH,C ET AL. (1995)
Experimental Water SolubilityNot Available
Melting PointMp 208-209°DFC
Foods of Origin
FoodContent Range AverageReference
FoodReference
Production Data
Production Methodcommercial
Production Method ReferenceNot Available
Production Method Reference FileNot Available
Quantity Available1 to 2 mg
Delivery Time2 weeks
Storage Formpowder
Storage Conditions4°C
StabilityNot Available
Purityunknown
Spectra
Spectral Data Upon RequestNot Available
Provider Information
Contact NameContact InstitutionContact Email
Augustin ScalbertInternational Agency for Research on Cancer (IARC), Biomarkers Group, 150 cours Albert Thomas, Lyon, FR, 69372scalberta@iarc.fr
Commercial Vendors
AKSci H196
Toronto Research Chemicals T773860