[(Dibromo-4-methylphenoxy)methyl]oxirane (CED0115921)

Record Information

Version

1.0

Creation Date

2026-04-05 03:44:26 UTC

Update Date

2026-04-05 03:44:26 UTC

SynCED ID

CED0115921

Secondary Accession Numbers

CHEM091731

Identification

Common Name

[(Dibromo-4-methylphenoxy)methyl]oxirane

Class

Small Molecule

Description

[(Dibromo-4-methylphenoxy)methyl]oxirane belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the chemical formula C10H10Br2O2 and an average molecular weight of 322.00 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₀H₁₀Br₂O₂

Average Molecular Mass

321.996 g/mol

Monoisotopic Mass

319.905 g/mol

CAS Registry Number

36542-72-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

CC1=C(Br)C(Br)=C(OCC2CO2)C=C1

InChI Identifier

InChI=1/C10H10Br2O2/c1-6-2-3-8(10(12)9(6)11)14-5-7-4-13-7/h2-3,7H,4-5H2,1H3

InChI Key

NXIFLHKNGSUALF-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

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
CEDs000517	Electric Switches?Electric switches, integral components in numerous devices, can be a source of synthetic chemical contamination due to the materials and manufacturing processes involved in their production.	Electrical & Electronic Equipment	PubChem
CEDs000519	Electrodes?Electrodes, used in various electrical and electronic applications, can be a source of synthetic chemical contamination due to the materials from which they are constructed and the processes involved in their manufacturing.	Electrical & Electronic Equipment	PubChem
CEDs000655	Slide Fasteners?Slide fasteners, commonly known as zippers, are mechanical devices used to join two edges of fabric or other materials.	Textiles, leather & furnishings	PubChem
CEDs000658	Touch Fasteners?Touch fasteners, commonly known as hook-and-loop fasteners, are composed of synthetic materials such as nylon or polyester.	Textiles, leather & furnishings	PubChem
CEDs000688	Glass Coatings?Glass coatings are synthetic chemical formulations applied to glass surfaces to enhance properties such as durability, UV resistance, and aesthetic appeal.	Building & Construction	PubChem
CEDs000696	Nanotechnology?Nanotechnology involves the manipulation of materials at the molecular or atomic level, typically within the range of 1 to 100 nanometers.	Industrial manufacturing & chemical processing	PubChem
CEDs000740	Paper?Paper production involves the processing of wood fibers and the use of various chemicals, which can lead to synthetic chemical contamination.	Paper, pulp & fiber products	PubChem
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	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	5-hydroxytryptamine receptor 2B	Q02152	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.244 Applicability Domain 0.262 Low confidence Statistical Significance 0.0076 Supporting Reference Compounds 20 E-value 59.2433
Click to view 3D structure	5-hydroxytryptamine receptor 1A	Q64264	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.238 Applicability Domain 0.258 Low confidence Statistical Significance 0.0392 Supporting Reference Compounds 52 E-value 305.402
Click to view 3D structure	Bis(5'-adenosyl)-triphosphatase	P49789	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.237 Low confidence Statistical Significance 0.002 Supporting Reference Compounds 1 E-value 15.492
Click to view 3D structure	Androgen receptor	P10275	Humans	Predicted (SEA)	Prediction Confidence Score 0.23 Applicability Domain 0.389 Statistical Significance 0.0854 Supporting Reference Compounds 146 E-value 665.222
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.229 Applicability Domain 0.333 Statistical Significance 0.3725 Supporting Reference Compounds 506 E-value 2899.88
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.227 Applicability Domain 0.333 Statistical Significance 0.3435 Supporting Reference Compounds 451 E-value 2674.28
Click to view 3D structure	D(1A) dopamine receptor	Q61616	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.226 Applicability Domain 0.239 Low confidence Statistical Significance 0.0276 Supporting Reference Compounds 33 E-value 214.708
Click to view 3D structure	Vitamin D3 receptor	P11473	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.389 Statistical Significance 0.0451 Supporting Reference Compounds 41 E-value 351.022
Click to view 3D structure	D(4) dopamine receptor	P51436	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.223 Applicability Domain 0.246 Low confidence Statistical Significance 0.0127 Supporting Reference Compounds 16 E-value 99.2578
Click to view 3D structure	Alpha-1D adrenergic receptor	P97714	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.222 Applicability Domain 0.258 Low confidence Statistical Significance 0.0073 Supporting Reference Compounds 7 E-value 57.2192
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.217 Applicability Domain 0.221 Low confidence Statistical Significance 0.4553 Supporting Reference Compounds 541 E-value 3544.16
Click to view 3D structure	Alpha-1A adrenergic receptor	P35348	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.22 Low confidence Statistical Significance 0.4231 Supporting Reference Compounds 376 E-value 3293.49
Click to view 3D structure	Alpha-1D adrenergic receptor	P25100	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.22 Low confidence Statistical Significance 0.3059 Supporting Reference Compounds 258 E-value 2381.1
Click to view 3D structure	Alpha-1B adrenergic receptor	P35368	Humans	Predicted (SEA)	Prediction Confidence Score 0.216 Applicability Domain 0.22 Low confidence Statistical Significance 0.3698 Supporting Reference Compounds 298 E-value 2878.71
Click to view 3D structure	D(3) dopamine receptor	P30728	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.215 Applicability Domain 0.262 Low confidence Statistical Significance 0.006 Supporting Reference Compounds 6 E-value 46.476
Click to view 3D structure	Norepinephrine transporter	Q9WTR4	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.333 Statistical Significance 0.121 Supporting Reference Compounds 112 E-value 941.898
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.25 Low confidence Statistical Significance 0.5459 Supporting Reference Compounds 487 E-value 4249.79
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.22 Low confidence Statistical Significance 0.6802 Supporting Reference Compounds 953 E-value 5295.3
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.221 Low confidence Statistical Significance 0.7113 Supporting Reference Compounds 1103 E-value 5537.49
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.219 Low confidence Statistical Significance 0.808 Supporting Reference Compounds 1301 E-value 6289.91
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.219 Low confidence Statistical Significance 0.8189 Supporting Reference Compounds 1660 E-value 6375.38
Click to view 3D structure	Ephrin type-B receptor 4	P54760	Humans	Predicted (SEA)	Prediction Confidence Score 0.211 Applicability Domain 0.219 Low confidence Statistical Significance 0.4269 Supporting Reference Compounds 259 E-value 3323.38
Click to view 3D structure	Ephrin type-A receptor 2	P29317	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.219 Low confidence Statistical Significance 0.7124 Supporting Reference Compounds 611 E-value 5546.37
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P35363	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.224 Low confidence Statistical Significance 0.0978 Supporting Reference Compounds 47 E-value 761.599
Click to view 3D structure	Autotaxin	Q13822	Humans	Predicted (SEA)	Prediction Confidence Score 0.207 Applicability Domain 0.246 Low confidence Statistical Significance 0.0481 Supporting Reference Compounds 40 E-value 374.688