2-(bromomethyl)oxane (CED0193062)

Record Information
Version1.0
Creation Date2026-08-23 04:48:06 UTC
Update Date2026-08-23 04:48:06 UTC
SynCED IDCED0193062
Secondary Accession Numbers
  • CHEM227286
Identification
Common Name2-(bromomethyl)oxane
ClassSmall Molecule
Description
2-(bromomethyl)oxane belongs to the oxanes, a class of organoheterocyclic compounds within the organic compounds. It has the chemical formula C6H11BrO and an average molecular weight of 179.05 g/mol.
Contaminant TypeNot Available
Chemical Structure
MOLSDFPDBSMILESInChI
SynonymsNot Available
Chemical FormulaC6H11BrO
Average Molecular Mass179.050 g/mol
Monoisotopic Mass177.999 g/mol
CAS Registry Number34723-82-5
IUPAC NameNot Available
Traditional NameNot Available
SMILESNot Available
InChI IdentifierInChI=1S/C6H11BrO/c7-5-6-3-1-2-4-8-6/h6H,1-5H2
InChI KeyMHNWCBOXPOLLIB-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
540.0 Log mg/kg [300:960]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 EffectRelationshipDirectionReference
Exposure Sources
Source IDSourceSectorReference
CEDs000070Stormwater runoff?Stormwater runoff refers to the flow of rainwater or melted snow that does not soak into the ground and instead collects pollutants as it travels over impervious surfaces such as roads and parking lots.Automotive & urban infrastructureNot Available
CEDs000685Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.Building & ConstructionNot Available
CEDs000739Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.Paper, pulp & fiber productsNot Available
CEDs000741Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.Paper, pulp & fiber productsNot Available
CEDs000743Sludge Treatment?Sludge treatment involves the processing of waste materials generated from wastewater treatment plants, which often contain a variety of organic and inorganic substances.Wastewater, sanitation & biosolidsNot Available
Pathways
0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets
StructureProteinUniProt IDOrganismRelationshipDetails
Bile salt-activated lipase structureClick to view 3D structureBile salt-activated lipaseP19835HumansPredicted (SEA)
Prediction Confidence Score
0.163
Applicability Domain
0.163 Low confidence
Statistical Significance
0.0279
Supporting Reference Compounds
1
E-value
216.888
Voltage-gated inwardly rectifying potassium channel KCNH2 structureClick to view 3D structureVoltage-gated inwardly rectifying potassium channel KCNH2Q12809HumansPredicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.19 Low confidence
Statistical Significance
0.992
Supporting Reference Compounds
1498
E-value
7722.8
Muscarinic acetylcholine receptor M1 structureClick to view 3D structureMuscarinic acetylcholine receptor M1P11229HumansPredicted (SEA)
Prediction Confidence Score
0.162
Applicability Domain
0.194 Low confidence
Statistical Significance
0.9686
Supporting Reference Compounds
385
E-value
7540.86
Click to view 3D structure5-hydroxytryptamine receptor 1AP19327Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.161
Applicability Domain
0.176 Low confidence
Statistical Significance
0.956
Supporting Reference Compounds
541
E-value
7442.31
Complement decay-accelerating factor structureClick to view 3D structureComplement decay-accelerating factorP08174HumansPredicted (SEA)
Prediction Confidence Score
0.16
Applicability Domain
0.16 Low confidence
Statistical Significance
0.114
Supporting Reference Compounds
1
E-value
887.248
Camphor 5-monooxygenase structureClick to view 3D structureCamphor 5-monooxygenaseP00183Pseudomonas putidaPredicted (SEA)
Prediction Confidence Score
0.158
Applicability Domain
0.158 Low confidence
Statistical Significance
0.0118
Supporting Reference Compounds
1
E-value
91.7842
Sodium-dependent serotonin transporter structureClick to view 3D structureSodium-dependent serotonin transporterP31645HumansPredicted (SEA)
Prediction Confidence Score
0.158
Applicability Domain
0.237 Low confidence
Statistical Significance
0.9833
Supporting Reference Compounds
593
E-value
7654.68
Cyclin-dependent kinase 2 structureClick to view 3D structureCyclin-dependent kinase 2P24941HumansPredicted (SEA)
Prediction Confidence Score
0.157
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9825
Supporting Reference Compounds
1029
E-value
7648.92
Epidermal growth factor receptor structureClick to view 3D structureEpidermal growth factor receptorP00533HumansPredicted (SEA)
Prediction Confidence Score
0.157
Applicability Domain
0.167 Low confidence
Statistical Significance
0.9895
Supporting Reference Compounds
1301
E-value
7703.1
Cytochrome P450 2C9 structureClick to view 3D structureCytochrome P450 2C9P11712HumansPredicted (SEA)
Prediction Confidence Score
0.156
Applicability Domain
0.211 Low confidence
Statistical Significance
0.9951
Supporting Reference Compounds
1245
E-value
7746.7
Activated CDC42 kinase 1 structureClick to view 3D structureActivated CDC42 kinase 1Q07912HumansPredicted (SEA)
Prediction Confidence Score
0.199
Applicability Domain
0.226 Low confidence
Statistical Significance
0.7116
Supporting Reference Compounds
331
E-value
5539.44
Tyrosine-protein kinase Lck structureClick to view 3D structureTyrosine-protein kinase LckP06239HumansPredicted (SEA)
Prediction Confidence Score
0.198
Applicability Domain
0.226 Low confidence
Statistical Significance
0.8963
Supporting Reference Compounds
1130
E-value
6977.78
All-trans-retinol dehydrogenase [NAD(+)] ADH4 structureClick to view 3D structureAll-trans-retinol dehydrogenase [NAD(+)] ADH4P08319HumansPredicted (SEA)
Prediction Confidence Score
0.182
Applicability Domain
0.182 Low confidence
Statistical Significance
0.0024
Supporting Reference Compounds
1
E-value
18.6838
Tyrosine-protein kinase ABL1 structureClick to view 3D structureTyrosine-protein kinase ABL1P00519HumansPredicted (SEA)
Prediction Confidence Score
0.176
Applicability Domain
0.226 Low confidence
Statistical Significance
0.9567
Supporting Reference Compounds
927
E-value
7447.68
Muscarinic acetylcholine receptor M5 structureClick to view 3D structureMuscarinic acetylcholine receptor M5P08912HumansPredicted (SEA)
Prediction Confidence Score
0.172
Applicability Domain
0.194 Low confidence
Statistical Significance
0.8815
Supporting Reference Compounds
266
E-value
6862.8
Tyrosine-protein kinase JAK3 structureClick to view 3D structureTyrosine-protein kinase JAK3P52333HumansPredicted (SEA)
Prediction Confidence Score
0.17
Applicability Domain
0.226 Low confidence
Statistical Significance
0.9669
Supporting Reference Compounds
961
E-value
7527.32
Vascular endothelial growth factor receptor 2 structureClick to view 3D structureVascular endothelial growth factor receptor 2P35968HumansPredicted (SEA)
Prediction Confidence Score
0.17
Applicability Domain
0.226 Low confidence
Statistical Significance
0.9775
Supporting Reference Compounds
1660
E-value
7610.15
Tyrosine-protein kinase BTK structureClick to view 3D structureTyrosine-protein kinase BTKQ06187HumansPredicted (SEA)
Prediction Confidence Score
0.17
Applicability Domain
0.226 Low confidence
Statistical Significance
0.9593
Supporting Reference Compounds
798
E-value
7467.76
5-hydroxytryptamine receptor 2C structureClick to view 3D structure5-hydroxytryptamine receptor 2CP28335HumansPredicted (SEA)
Prediction Confidence Score
0.167
Applicability Domain
0.237 Low confidence
Statistical Significance
0.9746
Supporting Reference Compounds
823
E-value
7587.57
Click to view 3D structureSigma non-opioid intracellular receptor 1Q9R0C9Rattus norvegicusPredicted (SEA)
Prediction Confidence Score
0.165
Applicability Domain
0.194 Low confidence
Statistical Significance
0.7612
Supporting Reference Compounds
207
E-value
5925.96
Muscarinic acetylcholine receptor M4 structureClick to view 3D structureMuscarinic acetylcholine receptor M4P08173HumansPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.194 Low confidence
Statistical Significance
0.9376
Supporting Reference Compounds
297
E-value
7299.38
ALK tyrosine kinase receptor structureClick to view 3D structureALK tyrosine kinase receptorQ9UM73HumansPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.197 Low confidence
Statistical Significance
0.974
Supporting Reference Compounds
708
E-value
7582.36
Tyrosine-protein kinase JAK2 structureClick to view 3D structureTyrosine-protein kinase JAK2O60674HumansPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.197 Low confidence
Statistical Significance
0.9751
Supporting Reference Compounds
1022
E-value
7591.0
Non-receptor tyrosine-protein kinase TYK2 structureClick to view 3D structureNon-receptor tyrosine-protein kinase TYK2P29597HumansPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.197 Low confidence
Statistical Significance
0.9662
Supporting Reference Compounds
657
E-value
7521.64
Muscarinic acetylcholine receptor M2 structureClick to view 3D structureMuscarinic acetylcholine receptor M2P08172HumansPredicted (SEA)
Prediction Confidence Score
0.164
Applicability Domain
0.194 Low confidence
Statistical Significance
0.9638
Supporting Reference Compounds
373
E-value
7502.87
Concentrations
Not Available
External Links
IdentifiersNot Available
References
Synthesis ReferenceNot Available
MSDSNot Available
General ReferencesNot Available