Tris(dibromophenyl) phosphate (CED0022357)

Record Information

Version

1.0

Creation Date

2026-04-05 04:43:02 UTC

Update Date

2026-04-05 04:43:02 UTC

SynCED ID

CED0022357

Secondary Accession Numbers

CHEM092668

Identification

Common Name

Tris(dibromophenyl) phosphate

Class

Small Molecule

Description

Tris(dibromophenyl) phosphate belongs to the phosphate esters, a subclass of organic phosphoric acids and derivatives within the organic compounds. It has the chemical formula C18H9Br6O4P. With an average molecular weight of 799.66 g/mol, Tris(dibromophenyl) phosphate is a heavy molecule.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₈H₉Br₆O₄P

Average Molecular Mass

799.664 g/mol

Monoisotopic Mass

793.534 g/mol

CAS Registry Number

49690-63-3

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

BrC1=C(Br)C(OP(=O)(OC2=CC=CC(Br)=C2Br)OC2=CC=CC(Br)=C2Br)=CC=C1

InChI Identifier

InChI=1/C18H9Br6O4P/c19-10-4-1-7-13(16(10)22)26-29(25,27-14-8-2-5-11(20)17(14)23)28-15-9-3-6-12(21)18(15)24/h1-9H

InChI Key

LRSNDFOWYYKLHB-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
3571.0 Log mg/kg [2000:6300]	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
CEDs000530	Radio Transmission Systems?Radio transmission systems utilize a variety of synthetic chemicals in their manufacturing and maintenance processes.	Electrical & Electronic Equipment	PubChem
CEDs000579	Manufacture Of Iron Or Steel?The manufacture of iron or steel involves various processes, including smelting, refining, and alloying, which can result in the release of synthetic chemicals and contaminants.	Industrial manufacturing & chemical processing	PubChem
CEDs000635	Buttons?Buttons, often made from synthetic materials such as polyester, nylon, or polycarbonate, can be a source of synthetic chemical contamination during their production, use, and disposal.	Textiles, leather & furnishings	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
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
CEDs000744	Water, Wastewater, & Sewage Treatment?Water, wastewater, and sewage treatment processes are critical for managing and mitigating pollutants in water systems.	Wastewater, sanitation & biosolids	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	Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2	Q6P549	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.258 Low confidence Statistical Significance 6.00e-05 Supporting Reference Compounds 1 E-value 0.467095
Click to view 3D structure	Type II inositol 1,4,5-trisphosphate 5-phosphatase	P32019	Humans	Predicted (SEA)	Prediction Confidence Score 0.258 Applicability Domain 0.258 Low confidence Statistical Significance 6.00e-05 Supporting Reference Compounds 1 E-value 0.467095
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.237 Applicability Domain 0.244 Low confidence Statistical Significance 0.2374 Supporting Reference Compounds 472 E-value 1848.3
Click to view 3D structure	Carbonic anhydrase 12	O43570	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.244 Low confidence Statistical Significance 0.2071 Supporting Reference Compounds 332 E-value 1612.02
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.232 Applicability Domain 0.244 Low confidence Statistical Significance 0.2287 Supporting Reference Compounds 372 E-value 1780.57
Click to view 3D structure	Carbonic anhydrase 7	P43166	Humans	Predicted (SEA)	Prediction Confidence Score 0.224 Applicability Domain 0.241 Low confidence Statistical Significance 0.2053 Supporting Reference Compounds 242 E-value 1598.4
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.221 Applicability Domain 0.244 Low confidence Statistical Significance 0.3172 Supporting Reference Compounds 407 E-value 2469.22
Click to view 3D structure	Carbonic anhydrase 14	Q9ULX7	Humans	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.244 Low confidence Statistical Significance 0.2156 Supporting Reference Compounds 172 E-value 1678.43
Click to view 3D structure	Beta Lactamase	Q932Y6	Pseudomonas aeruginosa	Predicted (SEA)	Prediction Confidence Score 0.213 Applicability Domain 0.256 Low confidence Statistical Significance 0.1478 Supporting Reference Compounds 91 E-value 1150.69
Click to view 3D structure	Carbonic anhydrase 5A, mitochondrial	P35218	Humans	Predicted (SEA)	Prediction Confidence Score 0.209 Applicability Domain 0.238 Low confidence Statistical Significance 0.2363 Supporting Reference Compounds 165 E-value 1839.97
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.235 Low confidence Statistical Significance 0.4047 Supporting Reference Compounds 226 E-value 3150.25
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.206 Applicability Domain 0.235 Low confidence Statistical Significance 0.4054 Supporting Reference Compounds 227 E-value 3155.77
Click to view 3D structure	Phosphatidylinositol 3,4,5-trisphosphate 5-phosphatase 2	O15357	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.273 Low confidence Statistical Significance 0.0015 Supporting Reference Compounds 11 E-value 11.366
Click to view 3D structure	Mitochondrial import inner membrane translocase subunit TIM10	P87108	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.204 Applicability Domain 0.216 Low confidence Statistical Significance 0.184 Supporting Reference Compounds 64 E-value 1432.11
Click to view 3D structure	Mitochondrial import inner membrane translocase subunit TIM23	P32897	Saccharomyces cerevisiae S288c	Predicted (SEA)	Prediction Confidence Score 0.202 Applicability Domain 0.216 Low confidence Statistical Significance 0.2326 Supporting Reference Compounds 75 E-value 1811.16
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P28335	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.235 Low confidence Statistical Significance 0.8016 Supporting Reference Compounds 823 E-value 6240.39
Click to view 3D structure	5-hydroxytryptamine receptor 2B	P41595	Humans	Predicted (SEA)	Prediction Confidence Score 0.201 Applicability Domain 0.235 Low confidence Statistical Significance 0.8004 Supporting Reference Compounds 686 E-value 6230.97
Click to view 3D structure	Dual specificity tyrosine-phosphorylation-regulated kinase 2	Q92630	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.22 Low confidence Statistical Significance 0.5585 Supporting Reference Compounds 196 E-value 4347.72
Click to view 3D structure	Sphingosine 1-phosphate receptor 4	O95977	Humans	Predicted (SEA)	Prediction Confidence Score 0.196 Applicability Domain 0.235 Low confidence Statistical Significance 0.3898 Supporting Reference Compounds 117 E-value 3034.48
Click to view 3D structure	Protein-tyrosine kinase 2-beta	Q14289	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.256 Low confidence Statistical Significance 0.7707 Supporting Reference Compounds 414 E-value 5999.84
Click to view 3D structure	Transcription factor EB	P19484	Humans	Predicted (SEA)	Prediction Confidence Score 0.195 Applicability Domain 0.195 Low confidence Statistical Significance 0.0325 Supporting Reference Compounds 1 E-value 252.932
Click to view 3D structure	Mandelate racemase	P11444	Pseudomonas putida	Predicted (SEA)	Prediction Confidence Score 0.194 Applicability Domain 0.194 Low confidence Statistical Significance 0.0108 Supporting Reference Compounds 1 E-value 84.3107
Click to view 3D structure	5-hydroxytryptamine receptor 1A	P08908	Humans	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.235 Low confidence Statistical Significance 0.8608 Supporting Reference Compounds 953 E-value 6701.34
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.193 Applicability Domain 0.2 Low confidence Statistical Significance 0.6596 Supporting Reference Compounds 380 E-value 5135.25
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.192 Applicability Domain 0.238 Low confidence Statistical Significance 0.4373 Supporting Reference Compounds 193 E-value 3404.42