(1s,2s)-2-(3,4-dichlorobenzoyl)cyclopropane-1-carboxylic acid (CED0045458)

Record Information
Version1.0
Creation Date2026-08-18 14:33:21 UTC
Update Date2026-08-18 14:33:21 UTC
Accession NumberCHEM161469
Identification
Common Name(1s,2s)-2-(3,4-dichlorobenzoyl)cyclopropane-1-carboxylic acid
ClassSmall Molecule
Description
(1s,2s)-2-(3,4-dichlorobenzoyl)cyclopropane-1-carboxylic acid is an organic compound with the formula C11H8Cl2O3 and an average molecular weight of 259.08 g/mol. (1s,2s)-2-(3,4-dichlorobenzoyl)cyclopropane-1-carboxylic acid belongs to the carbonyl compounds, a subclass of organooxygen compounds within the organic compounds. This substance is associated with one recorded source, specifically electrical and electronic equipment used in colour television systems.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC11H8Cl2O3
Average Molecular Mass259.080 g/mol
Monoisotopic Mass257.985 g/mol
CAS Registry Number213400-34-1
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C11H8Cl2O3/c12-8-2-1-5(3-9(8)13)10(14)6-4-7(6)11(15)16/h1-3,6-7H,4H2,(H,15,16)/t6-,7-/m0/s1
InChI KeyZBRKMOHDGFGXLN-BQBZGAKWSA-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 ValuesNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
509Colour Television SystemsElectrical & Electronic EquipmentNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureKynurenine 3-monooxygenaseP38169Saccharomyces cerevisiae (strain ATCC 204508 / S288c) (Baker's yeast)Predicted (SEA)0.0778492
Click to view 3D structureKynurenine 3-monooxygenaseO88867Rattus norvegicusPredicted (SEA)0.0778492
Kynurenine 3-monooxygenase structureClick to view 3D structureKynurenine 3-monooxygenaseO15229HumansPredicted (SEA)0.0778492
Click to view 3D structureO-phosphoserine sulfhydrylaseP9WP53Mycobacterium tuberculosis (strain ATCC 25618 / H37Rv)Predicted (SEA)13.935
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)406.918
Click to view 3D structureSodium-dependent dopamine transporterQ9GJT6Macaca fascicularisPredicted (SEA)7.23998
Click to view 3D structureSodium-dependent dopamine transporterP23977Rattus norvegicusPredicted (SEA)180.766
Histone deacetylase 8 structureClick to view 3D structureHistone deacetylase 8Q9BY41HumansPredicted (SEA)403.181
Protein deacetylase HDAC6 structureClick to view 3D structureProtein deacetylase HDAC6Q9UBN7HumansPredicted (SEA)684.995
Click to view 3D structureSodium-dependent serotonin transporterQ9MYX0Macaca mulattaPredicted (SEA)1.55698
Sodium-dependent dopamine transporter structureClick to view 3D structureSodium-dependent dopamine transporterQ01959HumansPredicted (SEA)427.937
Click to view 3D structureCyclin-dependent kinase 20Q8IZL9HumansPredicted (SEA)19.618
Sigma non-opioid intracellular receptor 1 structureClick to view 3D structureSigma non-opioid intracellular receptor 1Q99720HumansPredicted (SEA)694.259
Aurora kinase B structureClick to view 3D structureAurora kinase BQ96GD4HumansPredicted (SEA)1535.89
Bifunctional epoxide hydrolase 2 structureClick to view 3D structureBifunctional epoxide hydrolase 2P34913HumansPredicted (SEA)253.244
Click to view 3D structureKappa-type opioid receptorP41144Cavia porcellusPredicted (SEA)406.684
Kappa-type opioid receptor structureClick to view 3D structureKappa-type opioid receptorP41145HumansPredicted (SEA)930.143
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)748.053
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)1487.62
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)2085.04
Histone deacetylase 1 structureClick to view 3D structureHistone deacetylase 1Q13547HumansPredicted (SEA)1260.3
Click to view 3D structureKappa-type opioid receptorP33534Mus musculusPredicted (SEA)225.763
Click to view 3D structureSodium-dependent serotonin transporterP31652Rattus norvegicusPredicted (SEA)514.194
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)2493.59
Dual specificity protein kinase CLK4 structureClick to view 3D structureDual specificity protein kinase CLK4Q9HAZ1HumansPredicted (SEA)1658.73
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available