5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde (CED0226098)

Record Information
Version1.0
Creation Date2026-08-25 18:51:17 UTC
Update Date2026-08-25 18:51:17 UTC
Accession NumberCHEM268917
Identification
Common Name5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde
ClassSmall Molecule
Description
5-bromo-2,3-dihydro-1,4-benzodioxine-7-carbaldehyde belongs to the benzo-1,4-dioxanes, a subclass of benzodioxanes within the organic compounds. This organoheterocyclic compound has the chemical formula C9H7BrO3 and an average molecular weight of 243.05 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC9H7BrO3
Average Molecular Mass243.050 g/mol
Monoisotopic Mass241.958 g/mol
CAS Registry Number860003-88-9
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C9H7BrO3/c10-7-3-6(5-11)4-8-9(7)13-2-1-12-8/h3-5H,1-2H2
InChI KeyHRSYWPMGIIAQIW-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
708.0Log mg/kg[400:1300]RatLD50oralpredictedNot Available
Health Effects
Health EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
631Anthraquinone DyesTextiles, leather & furnishingsNot Available
648Nitro DyesTextiles, leather & furnishingsNot Available
Pathways
0 pathways

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Dual specificity tyrosine-phosphorylation-regulated kinase 1B structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1BQ9Y463HumansPredicted (SEA)2199.24
Dual specificity tyrosine-phosphorylation-regulated kinase 1A structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 1AQ13627HumansPredicted (SEA)3599.28
Dual specificity protein kinase CLK1 structureClick to view 3D structureDual specificity protein kinase CLK1P49759HumansPredicted (SEA)1690.73
Dual specificity tyrosine-phosphorylation-regulated kinase 2 structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 2Q92630HumansPredicted (SEA)1292.76
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)5333.68
Click to view 3D structureDehydrogenase/reductase SDR family member 9Q8VD48Rattus norvegicusPredicted (SEA)43.8291
Serine/threonine-protein kinase pim-1 structureClick to view 3D structureSerine/threonine-protein kinase pim-1P11309HumansPredicted (SEA)6331.32
Dual specificity protein kinase CLK2 structureClick to view 3D structureDual specificity protein kinase CLK2P49760HumansPredicted (SEA)6162.54
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)5230.22
5-hydroxytryptamine receptor 1A structureClick to view 3D structure5-hydroxytryptamine receptor 1AP08908HumansPredicted (SEA)6411.12
Folliculin-interacting protein 1 structureClick to view 3D structureFolliculin-interacting protein 1Q8TF40HumansPredicted (SEA)32.541
Click to view 3D structureProkineticin receptor 2G3H407Cricetulus griseusPredicted (SEA)290.066
Dual specificity protein kinase CLK3 structureClick to view 3D structureDual specificity protein kinase CLK3P49761HumansPredicted (SEA)4353.8
Click to view 3D structureDual specificity protein kinase CLK1P22518Mus musculusPredicted (SEA)1098.84
Click to view 3D structureDual specificity protein kinase CLK4O35493Mus musculusPredicted (SEA)727.812
Phosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoform structureClick to view 3D structurePhosphatidylinositol 4,5-bisphosphate 3-kinase catalytic subunit alpha isoformP42336HumansPredicted (SEA)6103.77
5-hydroxytryptamine receptor 2B structureClick to view 3D structure5-hydroxytryptamine receptor 2BP41595HumansPredicted (SEA)6807.68
Click to view 3D structureD(2) dopamine receptorP61169RatPredicted (SEA)5427.41
Dual specificity tyrosine-phosphorylation-regulated kinase 3 structureClick to view 3D structureDual specificity tyrosine-phosphorylation-regulated kinase 3O43781HumansPredicted (SEA)6270.21
Click to view 3D structureHeat shock factor protein 1P38532Mus musculusPredicted (SEA)4335.97
5-hydroxytryptamine receptor 2A structureClick to view 3D structure5-hydroxytryptamine receptor 2AP28223HumansPredicted (SEA)7060.77
D(2) dopamine receptor structureClick to view 3D structureD(2) dopamine receptorP14416HumansPredicted (SEA)7051.35
Click to view 3D structureDual specificity protein kinase CLK3O35492Mus musculusPredicted (SEA)499.558
Click to view 3D structureDual specificity protein kinase CLK2O35491Mus musculusPredicted (SEA)995.224
Click to view 3D structure4,4'-diapophytoene desaturase (4,4'-diaponeurosporene-forming)O07855Staphylococcus aureus (strain Newman)Predicted (SEA)69.8307
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available