2-hydroxy-2-(2,3,4,5,6-pentachlorophenyl)acetonitrile (CED0313865)

Record Information
Version1.0
Creation Date2026-09-01 13:31:44 UTC
Update Date2026-09-01 13:31:44 UTC
Accession NumberCHEM359736
Identification
Common Name2-hydroxy-2-(2,3,4,5,6-pentachlorophenyl)acetonitrile
ClassSmall Molecule
Description
2-hydroxy-2-(2,3,4,5,6-pentachlorophenyl)acetonitrile is a chemical compound with the formula C8H2Cl5NO and an average molecular weight of 305.40 g/mol. This substance has been found in or released from two recorded sources, specifically television systems and electrical and electronic equipment, including fixed capacitors and their manufacture.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC8H2Cl5NO
Average Molecular MassNot Available
Monoisotopic Mass302.858 g/mol
CAS Registry Number21727-09-3
IUPAC NameNot Available
Traditional NameNot Available
SMILESC(#N)C(C1=C(C(=C(C(=C1Cl)Cl)Cl)Cl)Cl)O
InChI IdentifierInChI=1S/C8H2Cl5NO/c9-4-3(2(15)1-14)5(10)7(12)8(13)6(4)11/h2,15H
InChI KeySMARLDCRQUMZJR-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
208.0Log mg/kg[120:370]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
521Fixed Capacitors And Their ManufactureElectrical & Electronic EquipmentNot Available
537Television SystemsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)7389.53
Click to view 3D structureMediator of RNA polymerase II transcription subunit 15Q6FRS9Candida glabrata (strain ATCC 2001 / CBS 138 / JCM 3761 / NBRC 0622 /NRRL Y-65) (Yeast) (Torulopsis glabrata)Predicted (SEA)384.731
Cytochrome P450 2D6 structureClick to view 3D structureCytochrome P450 2D6P10635HumansPredicted (SEA)7697.5
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)7557.14
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)7657.79
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)7744.83
Estrogen receptor structureClick to view 3D structureEstrogen receptorP03372HumansPredicted (SEA)7370.92
Nitric oxide synthase, inducible structureClick to view 3D structureNitric oxide synthase, inducibleP35228HumansPredicted (SEA)4561.73
Mandelate racemase structureClick to view 3D structureMandelate racemaseP11444Pseudomonas putidaPredicted (SEA)498.157
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)7634.52
Sodium-dependent noradrenaline transporter structureClick to view 3D structureSodium-dependent noradrenaline transporterP23975HumansPredicted (SEA)7695.24
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)7700.38
Click to view 3D structureBeta-2 adrenergic receptorQ28044Bos taurusPredicted (SEA)1001.84
Click to view 3D structureTyR1H9TVJ1Chilo suppressalisPredicted (SEA)161.07
Click to view 3D structureBeta-2 adrenergic receptorQ8K4Z4Cavia porcellusPredicted (SEA)4815.75
Estrogen receptor beta structureClick to view 3D structureEstrogen receptor betaQ92731HumansPredicted (SEA)7514.55
Beta-2 adrenergic receptor structureClick to view 3D structureBeta-2 adrenergic receptorP07550HumansPredicted (SEA)7645.49
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)7739.46
Adenosine receptor A3 structureClick to view 3D structureAdenosine receptor A3P0DMS8HumansPredicted (SEA)7707.15
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)7739.61
Click to view 3D structureBeta-1 adrenergic receptorP18090Rattus norvegicusPredicted (SEA)5841.65
Click to view 3D structureExtracellular calcium-sensing receptorP35384Bos taurusPredicted (SEA)1769.44
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)7587.03
Carbonic anhydrase 1 structureClick to view 3D structureCarbonic anhydrase 1P00915HumansPredicted (SEA)7619.34
Beta-1 adrenergic receptor structureClick to view 3D structureBeta-1 adrenergic receptorP08588HumansPredicted (SEA)7624.55
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available