1-bromo-2-ethoxybenzene (CED0218605)

Record Information

Version

1.0

Creation Date

2026-08-25 04:36:32 UTC

Update Date

2026-08-25 04:36:32 UTC

SynCED ID

CED0218605

Secondary Accession Numbers

CHEM259672

Identification

Common Name

1-bromo-2-ethoxybenzene

Class

Small Molecule

Description

1-bromo-2-ethoxybenzene belongs to the phenol ethers, a class of benzenoids within the organic compounds. It has the chemical formula C8H9BrO and an average molecular weight of 201.06 g/mol.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₈H₉BrO

Average Molecular Mass

201.060 g/mol

Monoisotopic Mass

199.984 g/mol

CAS Registry Number

583-19-7

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

Not Available

InChI Identifier

InChI=1S/C8H9BrO/c1-2-10-8-6-4-3-5-7(8)9/h3-6H,2H2,1H3

InChI Key

JVEQWIQHHWNMQX-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
1030.0 Log mg/kg [580:1800]	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	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	Not Available
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	Not Available
CEDs000555	Bleaching Agents?Bleaching agents are chemical substances used to whiten or lighten materials, often employed in various cleaning products for their stain removal and disinfecting properties.	Household cleaning & consumer products	Not Available
CEDs000561	Perfumes Within Detergents And Soaps?Perfumes within detergents and soaps are synthetic fragrance compounds added to enhance the sensory experience of cleaning products.	Household cleaning & consumer products	Not Available
CEDs000563	Soap Detergents?Soap detergents are synthetic surfactants designed to enhance the cleaning efficacy of water by reducing surface tension, allowing for better interaction with dirt and grease.	Household cleaning & consumer products	Not Available
CEDs000684	Cements?Cements are a composite material primarily used as a binding agent in construction applications, formed by the calcination of limestone and clay minerals at high temperatures.	Building & Construction	Not Available
CEDs000685	Ceramics?Ceramics can be a source of synthetic chemical contamination through various additives and processing agents used in their production.	Building & Construction	Not Available
CEDs000693	Silica Glass?Silica glass, primarily composed of silicon dioxide (SiO2), is widely used in various applications, including windows, glass facades, and insulation materials.	Building & Construction	Not Available
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	Not Available
CEDs000739	Inks?Inks are complex mixtures composed of pigments or dyes, solvents, resins, and additives used primarily for printing and writing applications.	Paper, pulp & fiber products	Not Available
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	Not Available
CEDs000741	Pigment Pastes?Pigment pastes are concentrated dispersions of pigments used to impart color and properties to materials.	Paper, pulp & fiber products	Not Available
CEDs000743	Sludge 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 & biosolids	Not Available
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	Not Available

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 dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.313 Applicability Domain 0.366 Statistical Significance 0.0298 Supporting Reference Compounds 506 E-value 231.835
Click to view 3D structure	Sodium-dependent noradrenaline transporter	P23975	Humans	Predicted (SEA)	Prediction Confidence Score 0.313 Applicability Domain 0.366 Statistical Significance 0.027 Supporting Reference Compounds 451 E-value 210.426
Click to view 3D structure	Segment polarity protein dishevelled homolog DVL-1	O14640	Humans	Predicted (SEA)	Prediction Confidence Score 0.304 Applicability Domain 0.304 Statistical Significance 1.50e-04 Supporting Reference Compounds 1 E-value 1.16774
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.289 Applicability Domain 0.313 Statistical Significance 0.065 Supporting Reference Compounds 593 E-value 506.176
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.36 Statistical Significance 0.042 Supporting Reference Compounds 332 E-value 326.733
Click to view 3D structure	Carboxy-terminal domain RNA polymerase II polypeptide A small phosphatase 1	Q9GZU7	Humans	Predicted (SEA)	Prediction Confidence Score 0.284 Applicability Domain 0.362 Statistical Significance 0.0124 Supporting Reference Compounds 128 E-value 96.9223
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.36 Statistical Significance 0.0563 Supporting Reference Compounds 372 E-value 438.369
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.36 Statistical Significance 0.0324 Supporting Reference Compounds 242 E-value 252.621
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.281 Applicability Domain 0.313 Statistical Significance 0.0827 Supporting Reference Compounds 541 E-value 643.502
Click to view 3D structure	Mitochondrial import inner membrane translocase subunit TIM10	P87108	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.28 Applicability Domain 0.366 Statistical Significance 0.0049 Supporting Reference Compounds 64 E-value 38.224
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.36 Statistical Significance 0.0767 Supporting Reference Compounds 472 E-value 597.493
Click to view 3D structure	Induced myeloid leukemia cell differentiation protein Mcl-1	Q07820	Humans	Predicted (SEA)	Prediction Confidence Score 0.279 Applicability Domain 0.366 Statistical Significance 0.0372 Supporting Reference Compounds 343 E-value 289.988
Click to view 3D structure	Potassium/sodium hyperpolarization-activated cyclic nucleotide-gated channel 2	Q9UL51	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.278 Low confidence Statistical Significance 0.0012 Supporting Reference Compounds 1 E-value 9.26406
Click to view 3D structure	Transporter	Q63380	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.272 Applicability Domain 0.313 Statistical Significance 0.0087 Supporting Reference Compounds 54 E-value 68.1181
Click to view 3D structure	Mitochondrial import inner membrane translocase subunit TIM23	P32897	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.271 Applicability Domain 0.366 Statistical Significance 0.0147 Supporting Reference Compounds 75 E-value 114.75
Click to view 3D structure	Sodium-dependent serotonin transporter	P31652	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.27 Applicability Domain 0.313 Statistical Significance 0.0585 Supporting Reference Compounds 297 E-value 455.184
Click to view 3D structure	Norepinephrine transporter	Q9WTR4	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.268 Applicability Domain 0.366 Statistical Significance 0.0212 Supporting Reference Compounds 112 E-value 165.196
Click to view 3D structure	Sodium-dependent dopamine transporter	P23977	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.313 Statistical Significance 0.0453 Supporting Reference Compounds 203 E-value 352.968
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28222	Humans	Predicted (SEA)	Prediction Confidence Score 0.264 Applicability Domain 0.282 Low confidence Statistical Significance 0.0812 Supporting Reference Compounds 337 E-value 632.369
Click to view 3D structure	Polyprotein P1234	Q8JUX6	Chikungunya virus (strain S27-African prototype) (CHIKV)	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.263 Low confidence Statistical Significance 8.40e-04 Supporting Reference Compounds 1 E-value 6.53933
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.313 Statistical Significance 0.109 Supporting Reference Compounds 380 E-value 848.401
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.296 Low confidence Statistical Significance 0.216 Supporting Reference Compounds 953 E-value 1681.7
Click to view 3D structure	5-hydroxytryptamine receptor 1B	P28564	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.282 Low confidence Statistical Significance 0.0506 Supporting Reference Compounds 154 E-value 394.151
Click to view 3D structure	Cytochrome P450 2D6	P10635	Humans	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.313 Statistical Significance 0.3912 Supporting Reference Compounds 1130 E-value 3045.77
Click to view 3D structure	Heat shock factor protein 1	P38532	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.256 Applicability Domain 0.277 Low confidence Statistical Significance 0.0551 Supporting Reference Compounds 166 E-value 429.105