3,4,5-trichloro-2-[(2,3,4-trichloro-6-hydroxyphenyl)methyl]phenol (CED0241730)

Record Information
Version1.0
Creation Date2026-08-28 03:38:30 UTC
Update Date2026-08-28 03:38:30 UTC
Accession NumberCHEM285950
Identification
Common Name3,4,5-trichloro-2-[(2,3,4-trichloro-6-hydroxyphenyl)methyl]phenol
ClassSmall Molecule
Description
3,4,5-trichloro-2-[(2,3,4-trichloro-6-hydroxyphenyl)methyl]phenol belongs to the diphenylmethanes, a subclass of benzene and substituted derivatives within the organic compounds. This benzenoid has the chemical formula C13H6Cl6O2 and an average molecular weight of 406.90 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC13H6Cl6O2
Average Molecular MassNot Available
Monoisotopic Mass403.850 g/mol
CAS Registry Number584-33-8
IUPAC NameNot Available
Traditional NameNot Available
SMILESC1=C(C(=C(C(=C1Cl)Cl)Cl)CC2=C(C(=C(C=C2O)Cl)Cl)Cl)O
InChI IdentifierInChI=1S/C13H6Cl6O2/c14-6-2-8(20)4(10(16)12(6)18)1-5-9(21)3-7(15)13(19)11(5)17/h2-3,20-21H,1H2
InChI KeyUCBOFBICDFOMBG-UHFFFAOYSA-N
Chemical Taxonomy
ClassificationNot classified
Biological Properties
StatusDetected and Not Quantified
OriginNot Available
Cellular LocationsNot Available
Biofluid LocationsNot Available
Tissue LocationsNot Available
ApplicationsNot Available
Biological RolesNot Available
Chemical RolesNot Available
Organoleptic EffectsNot Available
Physical Properties
StateNot Available
AppearanceNot Available
Experimental Properties
PropertyValue
Melting PointNot Available
Boiling PointNot Available
SolubilityNot Available
Predicted PropertiesNot Available
Spectra
SpectraNot Available
Toxicity Profile
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Toxicity Values
Toxicity ValueUnitValue RangeOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalReference
114.0Log mg/kg[60:200]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)413.302
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)542.298
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)306.492
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)379.126
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)1087.01
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)1656.16
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)1004.96
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)1850.24
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)763.623
Click to view 3D structureATP-dependent molecular chaperone HSP82C4YTQ8Candida albicans (strain WO-1) (Yeast)Predicted (SEA)206.923
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)213.774
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)552.496
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)267.179
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)408.942
Click to view 3D structureCalpain-2 catalytic subunitP43367Sus scrofaPredicted (SEA)101.438
Substance-K receptor structureClick to view 3D structureSubstance-K receptorP21452HumansPredicted (SEA)448.567
Receptor tyrosine-protein kinase erbB-2 structureClick to view 3D structureReceptor tyrosine-protein kinase erbB-2P04626HumansPredicted (SEA)1622.53
Adenosine receptor A2a structureClick to view 3D structureAdenosine receptor A2aP29274HumansPredicted (SEA)600.451
Click to view 3D structureThromboxane-A synthaseP24557HumansPredicted (SEA)93.1077
Mitogen-activated protein kinase 14 structureClick to view 3D structureMitogen-activated protein kinase 14Q16539HumansPredicted (SEA)2068.3
Tyrosine-protein kinase Fyn structureClick to view 3D structureTyrosine-protein kinase FynP06241HumansPredicted (SEA)2213.02
Acetylcholinesterase structureClick to view 3D structureAcetylcholinesteraseP22303HumansPredicted (SEA)1256.02
Fatty acid synthase structureClick to view 3D structureFatty acid synthaseP49327HumansPredicted (SEA)317.002
Cytochrome P450 2C19 structureClick to view 3D structureCytochrome P450 2C19P33261HumansPredicted (SEA)2961.85
Click to view 3D structureEnvelope glycoprotein gp160Q6QLK5Human immunodeficiency virus 1Predicted (SEA)54.9616
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available