(Allyloxy)tribromobenzene (CED0048324)

Record Information

Version

1.0

Creation Date

2026-04-04 23:55:01 UTC

Update Date

2026-04-17 16:27:42 UTC

SynCED ID

CED0048324

Secondary Accession Numbers

CHEM085638

Identification

Common Name

(Allyloxy)tribromobenzene

Class

Small Molecule

Description

(Allyloxy)tribromobenzene belongs to the phenol ethers, a class of benzenoids within the organic compounds. This compound has the chemical formula C9H7Br3O and an average molecular weight of 370.87 g/mol. Regarding its application and environmental presence, (Allyloxy)tribromobenzene is used in plastics, specifically in polystyrene and expanded polystyrene. It has been identified in or released from one recorded source: electrical and electronic equipment, specifically communication cables or conductors.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₉H₇Br₃O

Average Molecular Mass

370.866 g/mol

Monoisotopic Mass

367.805 g/mol

CAS Registry Number

26762-91-4

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

BrC1=C(Br)C(Br)=C(OCC=C)C=C1

InChI Identifier

InChI=1/C9H7Br3O/c1-2-5-13-7-4-3-6(10)8(11)9(7)12/h2-4H,1,5H2

InChI Key

FJNNYLPBIOZVIQ-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
703.0 Log mg/kg [400:1300]	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
CEDs000510	Communication Cables Or Conductors?Communication cables or conductors are essential components in the transmission of data and signals in various applications, including telecommunications and networking.	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
CEDs000632	Apparel?Apparel production often involves the use of various synthetic chemicals, including dyes, finishing agents, and preservatives.	Textiles, leather & furnishings	PubChem
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	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

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 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.288 Applicability Domain 0.333 Statistical Significance 0.0913 Supporting Reference Compounds 823 E-value 710.452
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.278 Applicability Domain 0.333 Statistical Significance 0.1371 Supporting Reference Compounds 955 E-value 1067.39
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.263 Applicability Domain 0.333 Statistical Significance 0.1881 Supporting Reference Compounds 953 E-value 1464.11
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.252 Applicability Domain 0.308 Statistical Significance 0.2205 Supporting Reference Compounds 686 E-value 1716.81
Click to view 3D structure	Alpha-2B adrenergic receptor	P18089	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.333 Statistical Significance 0.1135 Supporting Reference Compounds 340 E-value 883.589
Click to view 3D structure	Alpha-2A adrenergic receptor	P08913	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.333 Statistical Significance 0.1599 Supporting Reference Compounds 487 E-value 1244.65
Click to view 3D structure	Alpha-2C adrenergic receptor	P18825	Humans	Predicted (SEA)	Prediction Confidence Score 0.251 Applicability Domain 0.333 Statistical Significance 0.1171 Supporting Reference Compounds 386 E-value 911.537
Click to view 3D structure	D(2) dopamine receptor	P14416	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.298 Low confidence Statistical Significance 0.4786 Supporting Reference Compounds 1103 E-value 3725.63
Click to view 3D structure	5-hydroxytryptamine receptor 6	P50406	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.333 Statistical Significance 0.2997 Supporting Reference Compounds 536 E-value 2333.3
Click to view 3D structure	D(3) dopamine receptor	P35462	Humans	Predicted (SEA)	Prediction Confidence Score 0.231 Applicability Domain 0.333 Statistical Significance 0.4388 Supporting Reference Compounds 861 E-value 3415.71
Click to view 3D structure	5-hydroxytryptamine receptor 7	P34969	Humans	Predicted (SEA)	Prediction Confidence Score 0.225 Applicability Domain 0.333 Statistical Significance 0.4055 Supporting Reference Compounds 565 E-value 3157.18
Click to view 3D structure	Sodium-dependent dopamine transporter	Q01959	Humans	Predicted (SEA)	Prediction Confidence Score 0.22 Applicability Domain 0.308 Statistical Significance 0.4871 Supporting Reference Compounds 506 E-value 3792.35
Click to view 3D structure	D(1A) dopamine receptor	P21728	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.254 Low confidence Statistical Significance 0.6669 Supporting Reference Compounds 425 E-value 5191.84
Click to view 3D structure	Sodium-dependent serotonin transporter	P31645	Humans	Predicted (SEA)	Prediction Confidence Score 0.198 Applicability Domain 0.298 Low confidence Statistical Significance 0.7599 Supporting Reference Compounds 593 E-value 5915.68
Click to view 3D structure	Beta-2 adrenergic receptor	P07550	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.298 Low confidence Statistical Significance 0.6715 Supporting Reference Compounds 258 E-value 5227.5
Click to view 3D structure	Cannabinoid receptor 2	P34972	Humans	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.229 Low confidence Statistical Significance 0.6208 Supporting Reference Compounds 175 E-value 4833.04
Click to view 3D structure	Voltage-gated inwardly rectifying potassium channel KCNH2	Q12809	Humans	Predicted (SEA)	Prediction Confidence Score 0.191 Applicability Domain 0.298 Low confidence Statistical Significance 0.9646 Supporting Reference Compounds 1498 E-value 7509.49
Click to view 3D structure	Melatonin receptor type 1B	P49286	Humans	Predicted (SEA)	Prediction Confidence Score 0.189 Applicability Domain 0.308 Statistical Significance 0.1166 Supporting Reference Compounds 20 E-value 907.8
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	Prediction Confidence Score 0.187 Applicability Domain 0.214 Low confidence Statistical Significance 0.5901 Supporting Reference Compounds 185 E-value 4593.8
Click to view 3D structure	Prostaglandin G/H synthase 2	P79208	Ovis aries	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.229 Low confidence Statistical Significance 0.2079 Supporting Reference Compounds 50 E-value 1618.41
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P19327	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.212 Low confidence Statistical Significance 0.8268 Supporting Reference Compounds 541 E-value 6436.57
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.214 Low confidence Statistical Significance 0.7625 Supporting Reference Compounds 380 E-value 5935.93
Click to view 3D structure	Dihydrofolate reductase	P0ABQ4	Escherichia coli (strain K12)	Predicted (SEA)	Prediction Confidence Score 0.182 Applicability Domain 0.259 Low confidence Statistical Significance 0.2052 Supporting Reference Compounds 92 E-value 1597.15
Click to view 3D structure	D(4) dopamine receptor	P21917	Humans	Predicted (SEA)	Prediction Confidence Score 0.181 Applicability Domain 0.298 Low confidence Statistical Significance 0.8662 Supporting Reference Compounds 524 E-value 6743.07
Click to view 3D structure	Trace amine-associated receptor 1	Q96RJ0	Humans	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.214 Low confidence Statistical Significance 0.4092 Supporting Reference Compounds 63 E-value 3185.75