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2,2',4-Tribromodiphenyl ether
147217-75-2 | DTXSID40872703
Searched by Approved Name: Found 1 result for '2,4',4-Tribromodiphenyl ether'.
2,2',4-Tribromodiphenyl ether
Intrinsic Properties
Molecular Formula: C12H7Br3O
Average Mass: 406.899 g/mol
Monoisotopic Mass: 403.804704 g/mol
Structural Identifiers
IUPAC Name: 2,4-Dibromo-1-(2-bromophenoxy)benzene
SMILES: BrC1=CC(Br)=C(OC2=CC=CC=C2Br)C=C1
InChI String: InChI=1S/C12H7Br3O/c13-8-5-6-12(10(15)7-8)16-11-4-2-1-3-9(11)14/h1-7H
Presence in Lists
Record Information
Citation
U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID40872703 (accessed April 22, 2018), 2,2',4-Tribromodiphenyl ether
Data Quality
Level 1:Expert curated, highest confidence in accuracy and consistency of unique chemical identifiers
Level 2:Expert curated, unique chemical identifiers using multiple sources
Level 3:Programmatically curated from high quality EPA source, unique chemical identifiers have no conflicts in ChemID and PubChem
Level 4:Programmatically curated from ChemID, unique chemical identifiers have no conflicts in PubChem
Level 5:Programmatically curated from ACToR or PubChem, unique chemical identifiers with low confidence, single public source
Quality Control Notes
No Quality Control Notes.
|
Property |
Average |
Median |
Range |
Unit |
|||
|---|---|---|---|---|---|---|---|
|
Experimental |
Predicted |
Experimental |
Predicted |
Experimental |
Predicted |
||
LogP: Octanol-Water |
5.74 (1) |
5.80 (1) |
- | - | - | - | - |
Water Solubility |
- |
1.26e-06 (1) |
- | - | - | - |
mol/L |
Melting Point |
- |
205 (1) |
- | - | - | - |
°C |
Boiling Point |
- |
334 (1) |
- | - | - | - |
°C |
Vapor Pressure |
- |
1.54e-06 (1) |
- | - | - | - |
mmHg |
LogKoa: Octanol-Air |
- |
9.84 (1) |
- | - | - | - | - |
Henry's Law |
- |
3.46e-05 (1) |
- | - | - | - |
atm-m3/mole |
|
LogP: Octanol-Water |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental |
5.74 (1) |
- |
- |
| Predicted |
5.80 (1) |
- |
- |
| Experimental | ||||
|---|---|---|---|---|
|
Source |
Result |
|||
|
Braekevelt |
5.74 |
|||
| Predicted | ||||
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
5.80 |
OPERA Model Report |
Available |
|
|
Water Solubility |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
1.26e-06 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
1.26e-06 mol/L |
OPERA Model Report |
Available |
|
|
Melting Point |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
205 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
205 °C |
OPERA Model Report |
Available |
|
|
Boiling Point |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
334 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
334 °C |
OPERA Model Report |
Available |
|
|
Vapor Pressure |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
1.54e-06 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
1.54e-06 mmHg |
OPERA Model Report |
Available |
|
|
LogKoa: Octanol-Air |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
9.84 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
9.84 |
OPERA Model Report |
Available |
|
|
Henry's Law |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
3.46e-05 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
3.46e-05 atm-m3/mole |
OPERA Model Report |
Available |
|
|
Property |
Average |
Median |
Range |
Unit |
|||
|---|---|---|---|---|---|---|---|
|
Experimental |
Predicted |
Experimental |
Predicted |
Experimental |
Predicted |
||
Soil Adsorp. Coeff. |
- |
153000 (1) |
- | - | - | - |
L/kg |
Atmos. Hydroxylation Rate |
- |
5.74e-12 (1) |
- | - | - | - |
cm3/molecule*sec |
Biodeg. Half-Life |
- |
24.2 (1) |
- | - | - | - |
days |
Fish Biotrans. Half-Life (Km) |
- |
23.7 (1) |
- | - | - | - |
days |
Bioconcentration Factor |
- |
524000 (1) |
- | - | - | - | - |
|
Soil Adsorp. Coeff. |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
153000 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
153000 L/kg |
OPERA Model Report |
Available |
|
|
Atmos. Hydroxylation Rate |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
5.74e-12 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
5.74e-12 cm3/molecule*sec |
OPERA Model Report |
Available |
|
|
Biodeg. Half-Life |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
24.2 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
24.2 days |
OPERA Model Report |
Available |
|
|
Fish Biotrans. Half-Life (Km) |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
23.7 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
23.7 days |
OPERA Model Report |
Available |
|
|
Bioconcentration Factor |
|||
|---|---|---|---|
Average |
Median |
Range |
|
| Experimental | - | - | - |
| Predicted |
524000 (1) |
- |
- |
| Predicted | ||||
|---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
|
OPERA |
524000 |
OPERA Model Report |
Available |
|
Found 9 synonyms
- Legend:
- Valid Synonyms
- Good Synonyms
- Other Synonyms
| 2,2',4-Tribromodiphenyl ether |
| 2,4-Dibromo-1-(2-bromophenoxy)benzene |
| Benzene, 2,4-dibromo-1-(2-bromophenoxy)- |
| 147217-75-2 Active CAS-RN |
| BDE 17 |
| 2,4-Dibromo-1-(2-bromophenoxy)benzene |
| Benzene, 2,4-dibromo-1-(2-bromophenoxy)- |
| PBDE 17 |
| 2'-MeO-BDE 7 |
National Health and Nutrition Examination Survey (NHANES) Inferences
There is no exposure monitoring data available.
Exposure Predictions
There is no exposure data available.
PubChem Articles
PubChem Patents
Searched with a similarity threshold of 0.8
Executive Summary