2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl ether (BDE 207) (CED0147336)

Record Information

Version

1.0

Creation Date

2026-04-05 16:35:38 UTC

Update Date

2026-08-18 22:15:29 UTC

SynCED ID

CED0147336

Secondary Accession Numbers

CHEM104597

Identification

Common Name

2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl ether (BDE 207)

Class

Small Molecule

Description

2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl ether (BDE 207) belongs to the diphenylethers, a subclass of benzene and substituted derivatives within the organic compounds. With an average molecular weight of 880.27 g/mol, 2,2',3,3',4,4',5,6,6'-Nonabromodiphenyl ether (BDE 207) is a heavy molecule. It has the chemical formula C12HBr9O. This compound is found in or released from indoor air, as well as food contact materials. Exposure routes for BDE 207 include inhalation, oral, and touch.

Contaminant Type

Not Available

Chemical Structure

MOL SDF PDB SMILES InChI

Synonyms

Not Available

Chemical Formula

C₁₂HBr₉O

Average Molecular Mass

880.275 g/mol

Monoisotopic Mass

871.268 g/mol

CAS Registry Number

437701-79-6

IUPAC Name

Not Available

Traditional Name

Not Available

SMILES

BrC1=CC(Br)=C(Br)C(Br)=C1OC1=C(Br)C(Br)=C(Br)C(Br)=C1Br

InChI Identifier

InChI=1S/C12HBr9O/c13-2-1-3(14)11(8(19)4(2)15)22-12-9(20)6(17)5(16)7(18)10(12)21/h1H

InChI Key

IEEVDIAVLGLVOW-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	splash10-00di-0000000090-f19f4078de4d656d01a6	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0000000090-77aa5d1fad3a01b6a86c	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-0096-0934000050-90563ccced203d14bad2	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0000000090-bb22379f73cf8dc70941	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0000000090-9a97a5de01cb0b15da74	Not Available	View Spectrum
Predicted LC-MS/MS	Predicted LC-MS/MS Spectrum	splash10-00di-0000000090-5840b1db767dc86e588e	Not Available	View Spectrum

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
fetal growth restriction	Associated With?	increase	Not Available	PMC9510934

Exposure Sources

Source ID	Source	Sector	Reference
CEDs000019	Indoor air?Indoor air can be a significant reservoir for synthetic chemical contaminants, which often originate from various sources within enclosed environments.	Air, dust & atmospheric transport	Not Available
CEDs000494	Food contact materials?Food contact materials refer to substances and products that are intended to come into contact with food during processing, packaging, or preparation.	Food, food processing & cookware	Not Available
CEDs01150	Butter	Food, food processing & cookware	PMC3040599 , PMC3040599

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	Isocitrate lyase	Q9P8Q7	Candida albicans	Predicted (SEA)	Prediction Confidence Score 0.212 Applicability Domain 0.212 Low confidence Statistical Significance 0.0014 Supporting Reference Compounds 1 E-value 10.5875
Click to view 3D structure	Carbonic anhydrase 2	P00918	Humans	Predicted (SEA)	Prediction Confidence Score 0.205 Applicability Domain 0.226 Low confidence Statistical Significance 0.5246 Supporting Reference Compounds 472 E-value 4084.13
Click to view 3D structure	Carbonic anhydrase 1	P00915	Humans	Predicted (SEA)	Prediction Confidence Score 0.2 Applicability Domain 0.226 Low confidence Statistical Significance 0.5263 Supporting Reference Compounds 407 E-value 4097.36
Click to view 3D structure	Carbonic anhydrase 9	Q16790	Humans	Predicted (SEA)	Prediction Confidence Score 0.199 Applicability Domain 0.226 Low confidence Statistical Significance 0.5243 Supporting Reference Compounds 372 E-value 4081.79
Click to view 3D structure	Casein kinase II subunit alpha	P68400	Humans	Predicted (SEA)	Prediction Confidence Score 0.197 Applicability Domain 0.333 Statistical Significance 0.8011 Supporting Reference Compounds 593 E-value 6236.19
Click to view 3D structure	Thyroid hormone receptor alpha	P10827	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.25 Low confidence Statistical Significance 0.1991 Supporting Reference Compounds 27 E-value 1550.29
Click to view 3D structure	Thyroid hormone receptor beta	P10828	Humans	Predicted (SEA)	Prediction Confidence Score 0.186 Applicability Domain 0.25 Low confidence Statistical Significance 0.2947 Supporting Reference Compounds 37 E-value 2294.14
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P28223	Humans	Predicted (SEA)	Prediction Confidence Score 0.184 Applicability Domain 0.209 Low confidence Statistical Significance 0.9298 Supporting Reference Compounds 955 E-value 7238.42
Click to view 3D structure	Segment polarity protein dishevelled homolog DVL-1	O14640	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.183 Low confidence Statistical Significance 0.0211 Supporting Reference Compounds 1 E-value 164.495
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX15	P16050	Humans	Predicted (SEA)	Prediction Confidence Score 0.183 Applicability Domain 0.364 Statistical Significance 0.1727 Supporting Reference Compounds 46 E-value 1344.77
Click to view 3D structure	Unconventional myosin-Va	Q02440	Gallus gallus	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 6.00e-04 Supporting Reference Compounds 1 E-value 4.67095
Click to view 3D structure	Myosin light chain kinase 2, skeletal/cardiac muscle	P07313	Oryctolagus cuniculus	Predicted (SEA)	Prediction Confidence Score 0.179 Applicability Domain 0.179 Low confidence Statistical Significance 6.00e-04 Supporting Reference Compounds 1 E-value 4.67095
Click to view 3D structure	Carbonic anhydrase 4	P22748	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.208 Low confidence Statistical Significance 0.6242 Supporting Reference Compounds 193 E-value 4859.27
Click to view 3D structure	Carbonic anhydrase 6	P23280	Humans	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.208 Low confidence Statistical Significance 0.5489 Supporting Reference Compounds 151 E-value 4273.14
Click to view 3D structure	5-hydroxytryptamine receptor 2A	P14842	Rattus norvegicus	Predicted (SEA)	Prediction Confidence Score 0.177 Applicability Domain 0.209 Low confidence Statistical Significance 0.8224 Supporting Reference Compounds 380 E-value 6402.71
Click to view 3D structure	Tyrosine-protein phosphatase non-receptor type 1	P18031	Humans	Predicted (SEA)	Prediction Confidence Score 0.175 Applicability Domain 0.204 Low confidence Statistical Significance 0.5966 Supporting Reference Compounds 197 E-value 4644.17
Click to view 3D structure	Polyunsaturated fatty acid lipoxygenase ALOX12	P18054	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.364 Statistical Significance 0.1985 Supporting Reference Compounds 31 E-value 1545.7
Click to view 3D structure	Aldo-keto reductase family 1 member B1	P15121	Humans	Predicted (SEA)	Prediction Confidence Score 0.174 Applicability Domain 0.364 Statistical Significance 0.4309 Supporting Reference Compounds 84 E-value 3354.83
Click to view 3D structure	Carbonic anhydrase 4	Q95323	Bos taurus	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.226 Low confidence Statistical Significance 0.2627 Supporting Reference Compounds 64 E-value 2045.33
Click to view 3D structure	Insulin-like growth factor 1 receptor	P08069	Humans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.233 Low confidence Statistical Significance 0.9585 Supporting Reference Compounds 785 E-value 7462.16
Click to view 3D structure	Carbonic anhydrase 2	Q3I4V7	Cryptococcus neoformans	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.206 Low confidence Statistical Significance 0.3307 Supporting Reference Compounds 60 E-value 2574.47
Click to view 3D structure	Carbonic anhydrase	Q5AJ71	Candida albicans (strain SC5314 / ATCC MYA-2876) (Yeast)	Predicted (SEA)	Prediction Confidence Score 0.172 Applicability Domain 0.206 Low confidence Statistical Significance 0.3345 Supporting Reference Compounds 68 E-value 2604.21
Click to view 3D structure	Peroxisome proliferator-activated receptor gamma	P37231	Humans	Predicted (SEA)	Prediction Confidence Score 0.171 Applicability Domain 0.25 Low confidence Statistical Significance 0.8238 Supporting Reference Compounds 192 E-value 6413.53
Click to view 3D structure	DNA damage-inducible transcript 3 protein	P35639	Mus musculus	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.209 Low confidence Statistical Significance 0.8218 Supporting Reference Compounds 226 E-value 6398.04
Click to view 3D structure	X-box-binding protein 1	P17861	Humans	Predicted (SEA)	Prediction Confidence Score 0.17 Applicability Domain 0.209 Low confidence Statistical Significance 0.8226 Supporting Reference Compounds 227 E-value 6403.8