2,3',4,4',6-Pentabromodiphenyl Ether (BDE 119) (CED0155936)

Record Information

Version

1.0

Creation Date

2026-04-05 16:39:02 UTC

Update Date

2026-08-18 21:12:50 UTC

Accession Number

CHEM104615

Identification

Common Name

2,3',4,4',6-Pentabromodiphenyl Ether (BDE 119)

Class

Small Molecule

Description

2,3',4,4',6-Pentabromodiphenyl Ether (BDE 119) belongs to the diphenylethers, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 564.69 g/mol, 2,3',4,4',6-Pentabromodiphenyl Ether (BDE 119) is a heavy molecule. This benzenoid compound has the chemical formula C12H5Br5O. It is found in or released from indoor air, dust, and atmospheric transport. The recorded exposure route for this substance is inhalation.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂H₅Br₅O

Average Molecular Mass

564.691 g/mol

Monoisotopic Mass

559.626 g/mol

CAS Registry Number

189084-66-0

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

BrC1=CC(Br)=C(OC2=CC(Br)=C(Br)C=C2)C(Br)=C1

InChI Identifier

InChI=1S/C12H5Br5O/c13-6-3-10(16)12(11(17)4-6)18-7-1-2-8(14)9(15)5-7/h1-5H

InChI Key

KXEOYBYEJCRPGB-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

Spectrum Type	Description	Splash Key	Deposition Date	View
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0000090000-33a2a14a58babf52c172	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-03di-0000090000-6e3be24958c0b6b2d378	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0007-0890020000-3e4e2e7f6aa2035f5abc	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0000090000-2b6a6f73aabce0614dc6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0a4i-0000090000-9454a8cf200e5fb277fb	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0pdj-0043490000-1ef0032526872e981e43	Not Available	View Spectrum

Toxicity Profile

Mechanism of Toxicity

Not Available

Carcinogenicity (IARC Classification)

Not Available

Minimum Risk Level

Not Available

Symptoms

Not Available

Treatment

Not Available

Toxicity Values

Not Available

Health Effects

Health Effect	Relationship	Direction	Reference

Exposure Sources

Source ID	Source	Sector	Reference
19	Indoor air	Air, dust & atmospheric transport	Not Available

Pathways

0 pathways

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	Tyrosine-protein kinase Lck	P06239	Humans	Predicted (SEA)	6576.86
Click to view 3D structure	Cyclin-dependent kinase 1	P06493	Humans	Predicted (SEA)	5910.86
Click to view 3D structure	Thyroid hormone receptor beta	P18113	Rattus norvegicus	Predicted (SEA)	20.4743
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	6194.46
Click to view 3D structure	Cytochrome P450 1A2	P05177	Humans	Predicted (SEA)	6804.41
Click to view 3D structure	Vascular endothelial growth factor receptor 2	P35968	Humans	Predicted (SEA)	6928.66
Click to view 3D structure	Vascular endothelial growth factor receptor 3	P35916	Humans	Predicted (SEA)	6322.91
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	1029.87
Click to view 3D structure	Hepatocyte growth factor receptor	P08581	Humans	Predicted (SEA)	6670.67
Click to view 3D structure	Aryl hydrocarbon receptor	O02747	Oryctolagus cuniculus	Predicted (SEA)	130.787
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P16050	Humans	Predicted (SEA)	694.726
Click to view 3D structure	5-hydroxytryptamine receptor 2C	P08909	Rat	Predicted (SEA)	3516.14
Click to view 3D structure	Kynurenine--oxoglutarate transaminase 1	Q16773	Humans	Predicted (SEA)	164.807
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	4807.19
Click to view 3D structure	Mitogen-activated protein kinase 1	P28482	Humans	Predicted (SEA)	6744.23
Click to view 3D structure	Thyroid hormone receptor alpha	P10827	Humans	Predicted (SEA)	159.124
Click to view 3D structure	Thyroid hormone receptor beta	P10828	Humans	Predicted (SEA)	317.08
Click to view 3D structure	Epidermal growth factor receptor	P00533	Humans	Predicted (SEA)	5176.51
Click to view 3D structure	Unconventional myosin-Va	Q02440	Gallus gallus	Predicted (SEA)	1.08989
Click to view 3D structure	Myosin light chain kinase 2, skeletal/cardiac muscle	P07313	Oryctolagus cuniculus	Predicted (SEA)	1.08989
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	3508.28
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	3079.64
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	3431.05
Click to view 3D structure	Proto-oncogene tyrosine-protein kinase Src	P12931	Humans	Predicted (SEA)	6355.22
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	3505.94