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3,3',5,5'-Tetrabromobisphenol A
79-94-7 | DTXSID1026081
Searched by DSSTox_Substance_Id: Found 1 result for 'DTXSID1026081'.

Wikipedia

Intrinsic Properties
Molecular Formula: C15H12Br4O2
Average Mass: 543.875 g/mol
Monoisotopic Mass: 539.757082 g/mol
Structural Identifiers
IUPAC Name: 4,4'-(Propane-2,2-diyl)bis(2,6-dibromophenol)
SMILES: CC(C)(C1=CC(Br)=C(O)C(Br)=C1)C1=CC(Br)=C(O)C(Br)=C1
InChI String: InChI=1S/C15H12Br4O2/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8/h3-6,20-21H,1-2H3
Presence in Lists

Record Information
Citation
U.S. Environmental Protection Agency. Chemistry Dashboard. https://comptox.epa.gov/dashboard/DTXSID1026081 (accessed April 26, 2018), 3,3',5,5'-Tetrabromobisphenol A
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 |
- |
6.67 (5) |
- |
6.80 |
- |
5.39 to 7.29 |
- |
Water Solubility |
- |
1.43e-05 (4) |
- |
7.39e-07 |
- |
1.84e-09 to 5.56e-05 |
mol/L |
Density |
- |
2.22 (2) |
- |
2.22 |
- |
2.06 to 2.37 |
g/cm^3 |
Flash Point |
- |
230 (2) |
- |
230 |
- |
207 to 253 |
°C |
Melting Point |
181 (5) |
200 (4) |
181 |
202 |
180 to 181 |
174 to 220 |
°C |
Boiling Point |
- |
447 (5) |
- |
441 |
- |
417 to 486 |
°C |
Surface Tension |
- |
55.6 (1) |
- | - | - | - |
dyn/cm |
Thermal Conductivity |
- |
122 (1) |
- | - | - | - |
mW/(m*K) |
Vapor Pressure |
- |
3.95e-08 (4) |
- |
8.41e-09 |
- |
1.54e-11 to 1.41e-07 |
mmHg |
LogKoa: Octanol-Air |
- |
9.34 (1) |
- | - | - | - | - |
Henry's Law |
- |
1.15e-08 (1) |
- | - | - | - |
atm-m3/mole |
Index of Refraction |
- |
1.67 (1) |
- | - | - | - | - |
Molar Refractivity |
- |
98.9 (1) |
- | - | - | - |
cm^3 |
Molar Volume |
- |
264 (1) |
- | - | - | - |
cm^3 |
Polarizability |
- |
39.2 (1) |
- | - | - | - |
Å^3 |
LogP: Octanol-Water |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
6.67 (5) |
6.80 |
5.39 to 7.29 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
EPISUITE |
7.20 |
Not Available |
Not Available |
|
NICEATM |
5.39 |
Not Available |
Available |
|
ACD/Labs Consensus |
6.80 |
Not Available |
Not Available |
|
ACD/Labs |
7.29 |
Not Available |
Not Available |
|
OPERA |
6.66 |
OPERA Model Report |
Available |
Water Solubility |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
1.43e-05 (4) |
7.39e-07 |
1.84e-09 to 5.56e-05 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
EPISUITE |
1.84e-09 mol/L |
Not Available |
Not Available |
|
NICEATM |
1.43e-06 mol/L |
Not Available |
Available |
|
TEST |
4.90e-08 mol/L |
TEST Report |
Not Available |
|
OPERA |
5.56e-05 mol/L |
OPERA Model Report |
Available |
Density |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
2.22 (2) |
2.22 |
2.06 to 2.37 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
2.06 g/cm^3 |
Not Available |
Not Available |
|
TEST |
2.37 g/cm^3 |
TEST Report |
Not Available |
Flash Point |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
230 (2) |
230 |
207 to 253 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
207 °C |
Not Available |
Not Available |
|
TEST |
253 °C |
TEST Report |
Not Available |
Melting Point |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental |
181 (5) |
181 |
180 to 181 |
Predicted |
200 (4) |
202 |
174 to 220 |
Experimental | ||||
---|---|---|---|---|
Source |
Result |
|||
Jean-Claude Bradley Open Melting Point Dataset |
181 °C |
|||
TCI |
180 °C |
|||
Alfa Aesar |
181 °C |
|||
Alfa Aesar |
181 °C |
|||
PhysPropNCCT |
181 °C |
|||
Predicted | ||||
Source |
Result |
Calculation Details |
QMRF |
|
EPISUITE |
206 °C |
Not Available |
Not Available |
|
NICEATM |
199 °C |
Not Available |
Available |
|
TEST |
220 °C |
TEST Report |
Not Available |
|
OPERA |
174 °C |
OPERA Model Report |
Available |
Boiling Point |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
447 (5) |
441 |
417 to 486 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
EPISUITE |
486 °C |
Not Available |
Not Available |
|
NICEATM |
441 °C |
Not Available |
Available |
|
ACD/Labs |
418 °C |
Not Available |
Not Available |
|
TEST |
472 °C |
TEST Report |
Not Available |
|
OPERA |
417 °C |
OPERA Model Report |
Available |
Surface Tension |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
55.6 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
55.6 dyn/cm |
Not Available |
Not Available |
Thermal Conductivity |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
122 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
TEST |
122 mW/(m*K) |
TEST Report |
Not Available |
Vapor Pressure |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
3.95e-08 (4) |
8.41e-09 |
1.54e-11 to 1.41e-07 |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
NICEATM |
1.54e-11 mmHg |
Not Available |
Available |
|
ACD/Labs |
1.41e-07 mmHg |
Not Available |
Not Available |
|
TEST |
1.15e-08 mmHg |
TEST Report |
Not Available |
|
OPERA |
5.29e-09 mmHg |
OPERA Model Report |
Available |
LogKoa: Octanol-Air |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
9.34 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
9.34 |
OPERA Model Report |
Available |
Henry's Law |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
1.15e-08 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
1.15e-08 atm-m3/mole |
OPERA Model Report |
Available |
Index of Refraction |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
1.67 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
1.67 |
Not Available |
Not Available |
Molar Refractivity |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
98.9 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
98.9 cm^3 |
Not Available |
Not Available |
Molar Volume |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
264 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
264 cm^3 |
Not Available |
Not Available |
Polarizability |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
39.2 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
ACD/Labs |
39.2 Å^3 |
Not Available |
Not Available |
Property |
Average |
Median |
Range |
Unit |
|||
---|---|---|---|---|---|---|---|
Experimental |
Predicted |
Experimental |
Predicted |
Experimental |
Predicted |
||
Soil Adsorp. Coeff. |
- |
128000 (1) |
- | - | - | - |
L/kg |
Atmos. Hydroxylation Rate |
- |
1.63e-11 (1) |
- | - | - | - |
cm3/molecule*sec |
Biodeg. Half-Life |
- |
64.4 (1) |
- | - | - | - |
days |
Fish Biotrans. Half-Life (Km) |
- |
8.42e-01 (1) |
- | - | - | - |
days |
Bioconcentration Factor |
269 (1) |
434 (3) |
- |
246 |
269 |
216 to 841 |
- |
Soil Adsorp. Coeff. |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
128000 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
128000 L/kg |
OPERA Model Report |
Available |
Atmos. Hydroxylation Rate |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
1.63e-11 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
1.63e-11 cm3/molecule*sec |
OPERA Model Report |
Available |
Biodeg. Half-Life |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
64.4 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
64.4 days |
OPERA Model Report |
Available |
Fish Biotrans. Half-Life (Km) |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental | - | - | - |
Predicted |
8.42e-01 (1) |
- |
- |
Predicted | ||||
---|---|---|---|---|
Source |
Result |
Calculation Details |
QMRF |
|
OPERA |
8.42e-01 days |
OPERA Model Report |
Available |
Bioconcentration Factor |
|||
---|---|---|---|
Average |
Median |
Range |
|
Experimental |
269 (1) |
- |
269 |
Predicted |
434 (3) |
246 |
216 to 841 |
Experimental | ||||
---|---|---|---|---|
Source |
Result |
|||
PhysPropNCCT |
269 |
|||
Predicted | ||||
Source |
Result |
Calculation Details |
QMRF |
|
NICEATM |
216 |
Not Available |
Available |
|
TEST |
246 |
TEST Report |
Not Available |
|
OPERA |
841 |
OPERA Model Report |
Available |

Found 60 synonyms
- Legend:
- Valid Synonyms
- Good Synonyms
- Other Synonyms
3,3',5,5'-Tetrabromobisphenol A |
4,4'-(Propane-2,2-diyl)bis(2,6-dibromophenol) |
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo- |
79-94-7 Active CAS-RN |
TBBPA |
Phenol, 4,4'-(1-methylethylidene)bis[2,6-dibromo- |
2, 2-Bis (4'-hydroxy-3',-5'-dibromophenyl) propane |
2,2',6,6'-Tetrabrom-4,4'-isopropylidendiphenol |
2,2',6,6'-tetrabromo-4,4'-isopropilidendifenol |
2,2',6,6'-tetrabromo-4,4'-isopropylidenediphenol |
2,2',6,6'-Tetrabromobisphenol A |
2,2-Bis(3,5-dibromo-4-hydroxyphenyl)propane |
2,2-Bis(4-hydroxy-3,5-dibromophenyl)propane |
3,5,3',5'-Tetrabromobisphenol A |
4,4'-(1-Methylethylidene)bis[2,6-dibromophenol] |
4,4'-Isopropylidenebis[2,6-dibromophenol] |
BIS(PHENOL, 2,6-DIBROMO), 4,4'-(1-METHYLETHYLIDENE) |
BISPHENOL A, TETRABROMO- |
BISPHENOL, 4,4'-(1-METHYLETHYLIDENE)TETRABROMO- |
Bromdian |
Fire Guard 2000 |
Firemaster BP 4A |
NSC 59775 |
Phenol, 4,4'-isopropylidenebis[2,6-dibromo- |
Saytex CP 2000 |
Saytex RB 100 |
Saytex RB 100PC |
Tetrabromobisphenol A |
TETRABROMOBISPHENOL-A |
Tetrabromodian |
Tetrabromodiphenylolpropane |
EINECS 201-236-9 |
Great Lakes BA-59P |
4,4'-Isopropylylidenebis(2,6-dibromophenol) |
Phenol, 4,4'-isopropylidenebis(2,6-dibromo- |
Tetrabromodiphenylopropane |
Tetrabromo-4,4'-isopropylidenediphenol |
UNII-FQI02RFC3A FDA Registry Number |
FLAME CUT 120G |
2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxy-phenyl)-1-methyl-ethyl]phenol |
2,6-dibromo-4-[1-(3,5-dibromo-4-hydroxyphenyl)-1-methylethyl]phenol |
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxy-phenyl)propan-2-yl]phenol |
2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol |
4,4'-(1-Methylethylidene)bis(2,6-dibromophenol) |
4,4'-(2,2-propanediyl) bis[2,6-dibromo]phenol |
4,4'-Isopropylidenebis(2,6-dibromophenol) |
25639-54-7 Alternate CAS-RN |
26446-62-8 Alternate CAS-RN |
121839-52-9 Alternate CAS-RN |
107719-55-1 Deleted CAS-RN |
108608-60-2 Deleted CAS-RN |
110670-65-0 Deleted CAS-RN |
124779-54-0 Deleted CAS-RN |
131891-38-8 Deleted CAS-RN |
186673-39-2 Deleted CAS-RN |
224951-26-2 Deleted CAS-RN |
30496-13-0 Deleted CAS-RN |
51253-31-7 Deleted CAS-RN |
7300-23-4 Deleted CAS-RN |
76341-26-9 Deleted CAS-RN |




National Health and Nutrition Examination Survey (NHANES) Inferences
There is no exposure monitoring data available.
Download as:
192nd highest exposure
Exposure Predictions (mg/kg-bw/day)
Median |
95th Percentile |
|
---|---|---|
Ages 6-11 |
8.81e-05 |
6.26e-03 |
Ages 12-19 |
3.37e-05 |
2.85e-03 |
Ages 20-65 |
3.46e-05 |
2.50e-03 |
Ages 65+ |
2.15e-05 |
2.72e-03 |
2.36e-05 |
2.45e-03 |
|
3.20e-05 |
2.82e-03 |
|
Repro. Age Females |
1.83e-05 |
2.33e-03 |
Females |
2.40e-05 |
1.50e-03 |
Males |
3.95e-05 |
2.91e-03 |
Total |
3.57e-05 |
3.39e-03 |

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