[(2,4,6-Tribromophenoxy)methyl]oxirane (CED0098352)

Record Information

Version

1.0

Creation Date

2026-04-04 20:24:35 UTC

Update Date

2026-04-04 20:24:35 UTC

SynCED ID

CED0098352

Secondary Accession Numbers

CHEM081198

Identification

Common Name

[(2,4,6-Tribromophenoxy)methyl]oxirane

Class

Small Molecule

Description

[(2,4,6-Tribromophenoxy)methyl]oxirane belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound is characterized by the chemical formula C9H7Br3O2.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₇Br₃O₂

Average Molecular Mass

Not Available

Monoisotopic Mass

383.800 g/mol

CAS Registry Number

5296-40-2

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1/C9H7Br3O2/c10-5-1-7(11)9(8(12)2-5)14-4-6-3-13-6/h1-2,6H,3-4H2

InChI Key

NXJGWHGJPITYOJ-UHFFFAOYSA-N

Chemical Taxonomy

Classification

Not classified

Biological Properties

Status

Detected and Not Quantified

Origin

Not Available

Cellular Locations

Not Available

Biofluid Locations

Not Available

Tissue Locations

Not Available

Applications

Not Available

Biological Roles

Not Available

Chemical Roles

Not Available

Organoleptic Effects

Not Available

Physical Properties

State

Not Available

Appearance

Not Available

Experimental Properties

Property	Value
Melting Point	Not Available
Boiling Point	Not Available
Solubility	Not Available

Predicted Properties

Not Available

Spectra

Not Available

Toxicity Profile

Toxicity Values

Toxicity Value	Organism	Dose Descriptor	Route of Exposure	Predicted or Experimental	Toxicity Rating	Reference
502.0 Log mg/kg [280:890]	Rat	LD50	oral	predicted	Not Available	Not Available

Toxicity / Toxin Class

Not Available

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Health Effects

Health Effect	Relationship	Direction	Description	Reference

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000511	Conductors Or Conductive Bodies Characterised By The Conductive Materials?Conductors, or conductive bodies, are materials that allow the flow of electrical current, typically made from metals such as copper, aluminum, or silver.	Electrical & Electronic Equipment	PubChem
CEDs000662	Yarns Or Threads?Yarns or threads used in textiles can be a source of synthetic chemical contamination due to the production processes and treatments they undergo.	Textiles, leather & furnishings	PubChem
CEDs000664	Fire Fighting Gels?Fire fighting gels are synthetic chemical formulations designed to enhance fire suppression effectiveness by creating a protective barrier against heat and flames.	Fire suppression systems & agents	PubChem
CEDs000665	Fire Extinguishers?Fire extinguishers contain various synthetic chemicals designed to suppress flames and prevent the spread of fire.	Fire suppression systems & agents	PubChem
CEDs000667	Gaseous Fire Fighting?Gaseous fire fighting systems utilize synthetic chemicals, such as halocarbons and inert gases, to suppress fires through chemical and physical processes.	Fire suppression systems & agents	PubChem
CEDs000670	Solid Fire Fighting Substances?Solid fire fighting substances, such as certain types of dry chemical powders, are used in fire suppression applications to extinguish flames and prevent fire spread.	Fire suppression systems & agents	PubChem

Pathways

0 pathwaysPathway Source: PathBank

No pathways found

No metabolic pathways have been associated with this synthetic chemical

Targets

Structure	Protein	UniProt ID	Organism	Relationship	Details
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.277 Low confidence Statistical Significance 0.4181 Supporting Reference Compounds 593 E-value 3254.8
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.277 Low confidence Statistical Significance 0.7895 Supporting Reference Compounds 1130 E-value 6145.96
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.255 Low confidence Statistical Significance 0.6738 Supporting Reference Compounds 955 E-value 5245.79
Click to view 3D structure	D(4) dopamine receptor	P51436	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.219 Low confidence Statistical Significance 0.0205 Supporting Reference Compounds 16 E-value 159.357
Click to view 3D structure	5-hydroxytryptamine receptor 2B	Q02152	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.214 Applicability Domain 0.219 Low confidence Statistical Significance 0.0344 Supporting Reference Compounds 20 E-value 267.49
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.286 Low confidence Statistical Significance 0.1794 Supporting Reference Compounds 146 E-value 1397.0
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P35363	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.219 Low confidence Statistical Significance 0.0841 Supporting Reference Compounds 47 E-value 654.945
Click to view 3D structure	D(2) dopamine receptor	P61168	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.21 Applicability Domain 0.219 Low confidence Statistical Significance 0.0426 Supporting Reference Compounds 22 E-value 331.326
Click to view 3D structure	5-hydroxytryptamine receptor 1A	Q64264	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.219 Low confidence Statistical Significance 0.1172 Supporting Reference Compounds 52 E-value 912.393
Click to view 3D structure	Alpha-1A adrenergic receptor	P97718	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.219 Low confidence Statistical Significance 0.0094 Supporting Reference Compounds 3 E-value 73.334
Click to view 3D structure	D(1A) dopamine receptor	Q61616	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.219 Low confidence Statistical Significance 0.0672 Supporting Reference Compounds 33 E-value 523.069
Click to view 3D structure	Unconventional myosin-Va	Q02440	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 2.60e-04 Supporting Reference Compounds 1 E-value 2.02408
Click to view 3D structure	Myosin light chain kinase 2, skeletal/cardiac muscle	P07313	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.205 Low confidence Statistical Significance 2.60e-04 Supporting Reference Compounds 1 E-value 2.02408
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.214 Low confidence Statistical Significance 0.7698 Supporting Reference Compounds 823 E-value 5993.14
Click to view 3D structure	Alpha-1D adrenergic receptor	P97714	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.219 Low confidence Statistical Significance 0.0215 Supporting Reference Compounds 7 E-value 167.687
Click to view 3D structure	Sigma non-opioid intracellular receptor 1	Q99720	Humans	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.25 Low confidence Statistical Significance 0.7 Supporting Reference Compounds 562 E-value 5449.83
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.203 Applicability Domain 0.214 Low confidence Statistical Significance 0.7757 Supporting Reference Compounds 686 E-value 6038.84
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.232 Low confidence Statistical Significance 0.7659 Supporting Reference Compounds 861 E-value 5962.71
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.245 Low confidence Statistical Significance 0.7296 Supporting Reference Compounds 506 E-value 5679.65
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.245 Low confidence Statistical Significance 0.6711 Supporting Reference Compounds 524 E-value 5224.31
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.217 Low confidence Statistical Significance 0.8942 Supporting Reference Compounds 1301 E-value 6961.59
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.255 Low confidence Statistical Significance 0.5804 Supporting Reference Compounds 380 E-value 4518.76
Click to view 3D structure	D(3) dopamine receptor	P30728	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.219 Low confidence Statistical Significance 0.0146 Supporting Reference Compounds 6 E-value 113.971
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P34968	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.219 Low confidence Statistical Significance 0.0241 Supporting Reference Compounds 14 E-value 187.928
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28334	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.206 Low confidence Statistical Significance 0.0383 Supporting Reference Compounds 2 E-value 298.007