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Record Information
Version5.0
StatusDetected and Quantified
Creation Date2012-09-13 11:39:56 UTC
Update Date2023-02-21 17:28:56 UTC
HMDB IDHMDB0041800
Secondary Accession Numbers
  • HMDB41800
Metabolite Identification
Common Name2,5-Dichlorophenol
Description2,5-Dichlorophenol, also known as 2,5-DCP, belongs to the class of organic compounds known as dichlorobenzenes. Dichlorobenzenes are compounds containing a benzene with exactly two chlorine atoms attached to it. 2,5-Dichlorophenol is a primary metabolite. Primary metabolites are metabolically or physiologically essential metabolites. They are directly involved in an organism’s growth, development or reproduction. Based on a literature review a significant number of articles have been published on 2,5-Dichlorophenol.
Structure
Thumb
Synonyms
ValueSource
2,5-DCPChEBI
2,5-Dichloro-phenolHMDB
2,5-Dichlorophenol (acd/name 4.0)HMDB
2,5-Dichlorophenol, potassium saltHMDB
2,5-Dichlorophenol, sodium saltHMDB
Potassium 2,5-dichlorophenoxideHMDB
Sodium 2,5-dichlorophenoxideHMDB
Chemical FormulaC6H4Cl2O
Average Molecular Weight163.001
Monoisotopic Molecular Weight161.963920164
IUPAC Name2,5-dichlorophenol
Traditional Name2,5-dichlorophenol
CAS Registry Number583-78-8
SMILES
OC1=C(Cl)C=CC(Cl)=C1
InChI Identifier
InChI=1S/C6H4Cl2O/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChI KeyRANCECPPZPIPNO-UHFFFAOYSA-N
Chemical Taxonomy
Description Belongs to the class of organic compounds known as dichlorobenzenes. Dichlorobenzenes are compounds containing a benzene with exactly two chlorine atoms attached to it.
KingdomOrganic compounds
Super ClassBenzenoids
ClassBenzene and substituted derivatives
Sub ClassHalobenzenes
Direct ParentDichlorobenzenes
Alternative Parents
Substituents
  • 1,4-dichlorobenzene
  • 3-halophenol
  • 2-halophenol
  • 2-chlorophenol
  • 3-chlorophenol
  • 1-hydroxy-4-unsubstituted benzenoid
  • 1-hydroxy-2-unsubstituted benzenoid
  • Phenol
  • Aryl chloride
  • Aryl halide
  • Organic oxygen compound
  • Organohalogen compound
  • Organochloride
  • Organooxygen compound
  • Hydrocarbon derivative
  • Aromatic homomonocyclic compound
Molecular FrameworkAromatic homomonocyclic compounds
External Descriptors
Ontology
Physiological effectNot Available
Disposition
ProcessNot Available
Role
Physical Properties
StateSolid
Experimental Molecular Properties
PropertyValueReference
Melting Point59 °CNot Available
Boiling PointNot AvailableNot Available
Water Solubility2 mg/mL at 25 °CNot Available
LogP3.06Not Available
Experimental Chromatographic PropertiesNot Available
Predicted Molecular Properties
Predicted Chromatographic Properties
Spectra
Biological Properties
Cellular Locations
  • Membrane (predicted from logP)
Biospecimen Locations
  • Urine
Tissue LocationsNot Available
Pathways
Normal Concentrations
BiospecimenStatusValueAgeSexConditionReferenceDetails
UrineDetected and Quantified0.00423 (0.00345-0.00517) umol/mmol creatinineAdult (>18 years old)Not SpecifiedNormal
    • National Health a...
details
UrineDetected and Quantified0.00649 (0.00392-0.0108) umol/mmol creatinineChildren (1-13 years old)Not SpecifiedNormal
    • National Health a...
details
Abnormal Concentrations
Not Available
Associated Disorders and Diseases
Disease ReferencesNone
Associated OMIM IDsNone
DrugBank IDNot Available
Phenol Explorer Compound IDNot Available
FooDB IDNot Available
KNApSAcK IDNot Available
Chemspider ID65
KEGG Compound IDC06602
BioCyc ID25-DICHLOROPHENOL
BiGG IDNot Available
Wikipedia LinkDichlorophenol
METLIN IDNot Available
PubChem Compound66
PDB IDNot Available
ChEBI ID27929
Food Biomarker OntologyNot Available
VMH IDNot Available
MarkerDB IDMDB00029793
Good Scents IDNot Available
References
Synthesis ReferenceNot Available
Material Safety Data Sheet (MSDS)Not Available
General ReferencesNot Available