5-chloro-2-iodophenol (CED0195987)

Record Information
Version1.0
Creation Date2026-08-23 10:02:16 UTC
Update Date2026-08-23 10:02:16 UTC
SynCED IDCED0195987
Secondary Accession Numbers
  • CHEM231066
Identification
Common Name5-chloro-2-iodophenol
ClassSmall Molecule
Description
5-chloro-2-iodophenol belongs to the halophenols, a subclass of phenols within the organic compounds. It is categorized as a benzenoid with the chemical formula C6H4ClIO. The compound has an average molecular weight of 254.45 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H4ClIO
Average Molecular Mass254.450 g/mol
Monoisotopic Mass253.900 g/mol
CAS Registry Number136808-72-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C6H4ClIO/c7-4-1-2-5(8)6(9)3-4/h1-3,9H
InChI KeyJIGSWDKRFQWANT-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
Toxicity Values
Toxicity ValueOrganismDose DescriptorRoute of ExposurePredicted or ExperimentalToxicity RatingReference
454.0 Log mg/kg [260:810]RatLD50oralpredictedNot AvailableNot Available
Toxicity / Toxin ClassNot Available
Mechanism of ToxicityNot Available
Carcinogenicity (IARC Classification)Not Available
Minimum Risk LevelNot Available
SymptomsNot Available
TreatmentNot Available
Health Effects
Health EffectRelationshipDirectionDescriptionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000537Television Systems?Television systems can be a source of synthetic chemical contamination due to the various materials and components used in their manufacture and operation.Electrical & Electronic EquipmentPubChem
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Click to view 3D structureEnoyl-acyl-carrier protein reductaseQ965D5Plasmodium falciparumPredicted (SEA)
Prediction Confidence Score
0.32
Applicability Domain
0.433
Statistical Significance
8.30e-04
Supporting Reference Compounds
18
E-value
6.46149
Enoyl-acyl carrier reductase structureClick to view 3D structureEnoyl-acyl carrier reductaseQ6UCJ9Toxoplasma gondiiPredicted (SEA)
Prediction Confidence Score
0.305
Applicability Domain
0.433
Statistical Significance
1.50e-04
Supporting Reference Compounds
7
E-value
1.16774
Click to view 3D structureTubulin alpha 4aC5ISA2Ovis ariesPredicted (SEA)
Prediction Confidence Score
0.3
Applicability Domain
0.3
Statistical Significance
0.0013
Supporting Reference Compounds
1
E-value
10.0426
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.279
Applicability Domain
0.333
Statistical Significance
0.2725
Supporting Reference Compounds
1498
E-value
2121.39
Transthyretin structureClick to view 3D structureTransthyretinP02766HumansPredicted (SEA)
Prediction Confidence Score
0.274
Applicability Domain
0.433
Statistical Significance
0.007
Supporting Reference Compounds
55
E-value
54.728
Click to view 3D structureStreptokinase AP10520Streptococcus pyogenes serotype M1Predicted (SEA)
Prediction Confidence Score
0.27
Applicability Domain
0.316
Statistical Significance
0.0639
Supporting Reference Compounds
425
E-value
497.846
Mitogen-activated protein kinase 1 structureClick to view 3D structureMitogen-activated protein kinase 1P28482HumansPredicted (SEA)
Prediction Confidence Score
0.269
Applicability Domain
0.286 Low confidence
Statistical Significance
0.1922
Supporting Reference Compounds
763
E-value
1495.95
Click to view 3D structureTransmembrane protease serine 4Q9NRS4HumansPredicted (SEA)
Prediction Confidence Score
0.267
Applicability Domain
0.267 Low confidence
Statistical Significance
0.0044
Supporting Reference Compounds
1
E-value
34.1758
Glycogen synthase kinase-3 alpha structureClick to view 3D structureGlycogen synthase kinase-3 alphaP49840HumansPredicted (SEA)
Prediction Confidence Score
0.265
Applicability Domain
0.286 Low confidence
Statistical Significance
0.2265
Supporting Reference Compounds
754
E-value
1763.13
Serine/threonine-protein kinase Chk1 structureClick to view 3D structureSerine/threonine-protein kinase Chk1O14757HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.286 Low confidence
Statistical Significance
0.2322
Supporting Reference Compounds
807
E-value
1807.35
LIM domain kinase 1 structureClick to view 3D structureLIM domain kinase 1P53667HumansPredicted (SEA)
Prediction Confidence Score
0.264
Applicability Domain
0.286 Low confidence
Statistical Significance
0.1848
Supporting Reference Compounds
565
E-value
1438.58
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)
Prediction Confidence Score
0.261
Applicability Domain
0.286 Low confidence
Statistical Significance
0.2786
Supporting Reference Compounds
967
E-value
2168.8
Tyrosine 3-monooxygenase structureClick to view 3D structureTyrosine 3-monooxygenaseP04177Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.256 Low confidence
Statistical Significance
0.0015
Supporting Reference Compounds
1
E-value
11.8331
Enoyl-[acyl-carrier-protein] reductase [NADH] FabI structureClick to view 3D structureEnoyl-[acyl-carrier-protein] reductase [NADH] FabIP0AEK4Escherichia coli (strain K12)Predicted (SEA)
Prediction Confidence Score
0.256
Applicability Domain
0.433
Statistical Significance
3.10e-04
Supporting Reference Compounds
8
E-value
2.41333
Rho-associated protein kinase 1 structureClick to view 3D structureRho-associated protein kinase 1Q13464HumansPredicted (SEA)
Prediction Confidence Score
0.255
Applicability Domain
0.286 Low confidence
Statistical Significance
0.2997
Supporting Reference Compounds
834
E-value
2333.06
Carbonic anhydrase 2 structureClick to view 3D structureCarbonic anhydrase 2P00918HumansPredicted (SEA)
Prediction Confidence Score
0.254
Applicability Domain
0.27 Low confidence
Statistical Significance
0.1515
Supporting Reference Compounds
472
E-value
1179.42
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.286 Low confidence
Statistical Significance
0.4415
Supporting Reference Compounds
1660
E-value
3436.73
Serine/threonine-protein kinase 3 structureClick to view 3D structureSerine/threonine-protein kinase 3Q13188HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.286 Low confidence
Statistical Significance
0.2791
Supporting Reference Compounds
641
E-value
2172.77
Protein kinase C delta type structureClick to view 3D structureProtein kinase C delta typeQ05655HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.286 Low confidence
Statistical Significance
0.2797
Supporting Reference Compounds
681
E-value
2177.44
Serine/threonine-protein kinase Chk2 structureClick to view 3D structureSerine/threonine-protein kinase Chk2O96017HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.286 Low confidence
Statistical Significance
0.2502
Supporting Reference Compounds
537
E-value
1947.87
Serine/threonine-protein kinase D2 structureClick to view 3D structureSerine/threonine-protein kinase D2Q9BZL6HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.286 Low confidence
Statistical Significance
0.2759
Supporting Reference Compounds
604
E-value
2147.94
Serine/threonine-protein kinase PLK1 structureClick to view 3D structureSerine/threonine-protein kinase PLK1P53350HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.286 Low confidence
Statistical Significance
0.2994
Supporting Reference Compounds
705
E-value
2330.96
Cyclin-dependent kinase 5 structureClick to view 3D structureCyclin-dependent kinase 5Q00535HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.286 Low confidence
Statistical Significance
0.3217
Supporting Reference Compounds
779
E-value
2504.57
Click to view 3D structureSerine/threonine-protein kinase MRCK alphaQ5VT25HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.286 Low confidence
Statistical Significance
0.2663
Supporting Reference Compounds
572
E-value
2073.51
RAC-gamma serine/threonine-protein kinase structureClick to view 3D structureRAC-gamma serine/threonine-protein kinaseQ9Y243HumansPredicted (SEA)
Prediction Confidence Score
0.25
Applicability Domain
0.286 Low confidence
Statistical Significance
0.2797
Supporting Reference Compounds
620
E-value
2177.52
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available