3-(2,3-dichloroanilino)cyclohex-2-en-1-one (CED0181791)

Record Information
Version1.0
Creation Date2026-08-18 15:53:07 UTC
Update Date2026-08-18 15:53:07 UTC
Accession NumberCHEM163038
Identification
Common Name3-(2,3-dichloroanilino)cyclohex-2-en-1-one
ClassSmall Molecule
Description
3-(2,3-dichloroanilino)cyclohex-2-en-1-one is an organic compound with the formula C12H11Cl2NO and an average molecular weight of 256.12 g/mol. 3-(2,3-dichloroanilino)cyclohex-2-en-1-one belongs to the halobenzenes, a subclass of benzene and substituted derivatives within the organic compounds. It is classified under the superclass of benzenoids. This compound is found in or released from two recorded sources: electrical and electronic equipment, specifically video games and thin magnetic films.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC12H11Cl2NO
Average Molecular Mass256.120 g/mol
Monoisotopic Mass255.022 g/mol
CAS Registry Number145657-26-7
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C12H11Cl2NO/c13-10-5-2-6-11(12(10)14)15-8-3-1-4-9(16)7-8/h2,5-7,15H,1,3-4H2
InChI KeyOTTPFCJTQXRWHO-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
735.0Log mg/kg[410:1300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
538Thin Magnetic FilmsElectrical & Electronic EquipmentNot Available
539Video GamesElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Prostaglandin G/H synthase 2 structureClick to view 3D structureProstaglandin G/H synthase 2P35354HumansPredicted (SEA)229.967
Aldo-keto reductase family 1 member C3 structureClick to view 3D structureAldo-keto reductase family 1 member C3P42330HumansPredicted (SEA)148.147
Transthyretin structureClick to view 3D structureTransthyretinP02766HumansPredicted (SEA)72.6333
Click to view 3D structureProstaglandin G/H synthase 1P05979Ovis ariesPredicted (SEA)249.585
Prostaglandin G/H synthase 1 structureClick to view 3D structureProstaglandin G/H synthase 1P23219HumansPredicted (SEA)422.488
Alpha-2B adrenergic receptor structureClick to view 3D structureAlpha-2B adrenergic receptorP18089HumansPredicted (SEA)1011.26
Alpha-2C adrenergic receptor structureClick to view 3D structureAlpha-2C adrenergic receptorP18825HumansPredicted (SEA)1044.43
Aldo-keto reductase family 1 member C2 structureClick to view 3D structureAldo-keto reductase family 1 member C2P52895HumansPredicted (SEA)378.581
Protein phosphatase 1 regulatory subunit 15A structureClick to view 3D structureProtein phosphatase 1 regulatory subunit 15AO75807HumansPredicted (SEA)7.86277
Protein phosphatase 1 regulatory subunit 15B structureClick to view 3D structureProtein phosphatase 1 regulatory subunit 15BQ5SWA1HumansPredicted (SEA)7.86277
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)5296.55
Alpha-2A adrenergic receptor structureClick to view 3D structureAlpha-2A adrenergic receptorP08913HumansPredicted (SEA)2175.34
Alpha-1A adrenergic receptor structureClick to view 3D structureAlpha-1A adrenergic receptorP35348HumansPredicted (SEA)1913.07
Chloride intracellular channel protein 1 structureClick to view 3D structureChloride intracellular channel protein 1O00299HumansPredicted (SEA)40.1702
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)3722.36
Click to view 3D structureProstaglandin G/H synthase 2Q05769Mus musculusPredicted (SEA)214.786
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)3960.42
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)3884.13
D(3) dopamine receptor structureClick to view 3D structureD(3) dopamine receptorP35462HumansPredicted (SEA)3493.33
Click to view 3D structureAlpha-1B adrenergic receptorP35368HumansPredicted (SEA)1800.19
Click to view 3D structureC-C chemokine receptor type 4Q8MJW8Canis lupus familiarisPredicted (SEA)52.7818
Mitogen-activated protein kinase 14 structureClick to view 3D structureMitogen-activated protein kinase 14Q16539HumansPredicted (SEA)4101.17
Glycogen synthase kinase-3 beta structureClick to view 3D structureGlycogen synthase kinase-3 betaP49841HumansPredicted (SEA)4939.84
Click to view 3D structureAlpha-1D adrenergic receptorP25100HumansPredicted (SEA)1580.73
Interleukin-8 structureClick to view 3D structureInterleukin-8P10145HumansPredicted (SEA)102.605
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available