2,2',3,4,4',5,5',6-Octabromodiphenyl ether
Completing data — refresh the page later to see the latest
Basic information
- CAS
337513-72-1- Standard SMILES
Brc1cc(Br)c(Oc2c(Br)c(Br)c(Br)c(Br)c2Br)cc1Br- InChIKey
RTUZOQFRIPIWPS-UHFFFAOYSA-N- Molecular formula
- C12H2Br8O
- Average molar mass
- 801.4 g/mol
- Monoisotopic mass
- 793.35726148
Names & identifiers
- Preferred name
- 2,2',3,4,4',5,5',6-Octabromodiphenyl ether
- IUPAC
- 1,2,3,4,5-pentabromo-6-(2,4,5-tribromophenoxy)benzene
- English name
- 2,2',3,4,4',5,5',6'-OCTABROMODIPHENYL ETHER
- Molecular formula
- C12H2Br8O
- Molecular weight
- 801.37
Names & synonyms
337513-72-12,2',3,4,4',5,5',6-Octabromodiphenyl etherPBDE 203UNII-13NAJ7N8H313NAJ7N8H3BDE 203BDE-203Benzene, pentabromo(2,4,5-tribromophenoxy)-Benzene, 1,2,3,4,5-pentabromo-6-(2,4,5-tribromophenoxy)-DTXSID7074749RefChem:80581DTXCID6038742
Show more names
BDE-198BDE No 203 solution2,2′,3,4,4′,5,5′,6-OctaBDEPBDE 203 50 μg/mL in Nonane2,2',3,4,4',5,5',6'-OCTABROMODIPHENYL ETHER2,4,5-Tribromophenyl(pentabromophenyl) ether(Pentabromophenyl)(2,4,5-tribromophenyl) etherPBDE203(2,2',3,4,4',5,5',6-OctabromodiphenylEther)
RTUZOQFRIPIWPS-UHFFFAOYSA-N1,2,3,4,5-pentabromo-6-(2,4,5-tribromophenoxy)benzeneC12H2Br8OPBDE No. 203SCHEMBL16678876MSK6342MFCD08435929PBDE 203 50 |Ig/mL in Nonane
Database identifiers
- CAS
337513-72-1- PubChem CID
- 36160
- DTXSID
DTXSID7074749- UNII
- 13NAJ7N8H3
- EC Number
- 881-746-1
- Nikkaji
- J248.380G
Properties
Computed structural propertiesFilling in
- XLogP
- 9
- Topological polar surface area
- 9.2 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 1
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 342
Experimental & physicochemical properties
Collision Cross Section195 Ų [M-Br+O]-
Physicochemical properties
- Melting point
- 234.5 °C · 234.5 °C
- Boiling point
- 523.452 · 523.452±50.00 °C(Press: 760.00 Torr)(predicted)
- Density
- 2.768 · 2.768±0.06 g/cm3(Temp: 25 °C; Press: 760 Torr)(predicted)
- Flash point
- -12 °C · -12 °C
- storage temp.
- 2 · 2-8°C
- solubility
- Chloroform (Slightly), THF (Slightly)
- form
- Solid
- color
- White to Off-White
- Henry's Law Constant
- 2 · 2.0×101 mol/(m3Pa) at 25℃, Long et al. (2017)
- FDA UNII
- 13 NAJ7N8H3 · 13NAJ7N8H3
- EPA Substance Registry System
- 1 · Benzene, 1,2,3,4,5-pentabromo-6-(2,4,5-tribromophenoxy)- (337513-72-1)
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
Danger
H360 (100%): May damage fertility or the unborn child [Danger Reproductive toxicity]
P203, P260, P273, P280, P318, P319, P391, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesRepr. 1A (100%)
Safety data
- wgk
- 2
- ridadr
- UN 1262 3/PG 2
- risk_code
- 11-38-50/53-65-67
- Signal word
- Danger
- Symbol(GHS)
- GHS02,GHS07,GHS08,GHS09
- hazard_code
- F,Xn,N
- safety_code
- 60-61-62-33-29-16-9
- Hazard statements
- H225-H304-H315-H336-H410
- Precautionary statements
- P210-P261-P273-P301+P310-P331-P501
Chemistry & industry
Applications
UsesPBDE 203 is a related compound of PBDE 37 (P215200). PBDE 37 is a polybrominated diphenyl ether, an organobromine compound, used as a flame retardant in consumer products. PBDE 37 is also an environment pollutant that may lead to pregnancy failure.
Related reactions
0 records
No reaction records under the current filter.
Compound notes
Loading…