182346-21-0
Product Name:
2,2',3,4',4-PENTABDE
Formula:
C12H5Br5O
Synonyms:
2,2′,3,4′,4-PentaBDE;2,2′,3,4′,4-Pentabromodiphenyl ether solution;PBDE 85
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 176.4 Ų [M-Br+O]- |
|---|
SAFETY INFORMATION
| Signal word | Danger |
|---|---|
| Pictogram(s) |
 Flame Flammables GHS02  Exclamation Mark Irritant GHS07  Health Hazard GHS08  Environment GHS09 |
| GHS Hazard Statements |
H225:Flammable liquids H304:Aspiration hazard H315:Skin corrosion/irritation H336:Specific target organ toxicity,single exposure; Narcotic effects H410:Hazardous to the aquatic environment, long-term hazard |
| Precautionary Statement Codes |
P210:Keep away from heat/sparks/open flames/hot surfaces. — No smoking. P261:Avoid breathing dust/fume/gas/mist/vapours/spray. P273:Avoid release to the environment. P331:Do NOT induce vomiting. P301+P310:IF SWALLOWED: Immediately call a POISON CENTER or doctor/physician. P501:Dispose of contents/container to..… |
COMPUTED DESCRIPTORS
| Molecular Weight | 564.7 g/mol |
|---|---|
| XLogP3 | 6.9 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 563.62163 g/mol |
| Monoisotopic Mass | 559.62573 g/mol |
| Topological Polar Surface Area | 9.2 Ų |
| Heavy Atom Count | 18 |
| Formal Charge | 0 |
| Complexity | 277 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 1 |
| Compound Is Canonicalized | Yes |
PRODUCT INTRODUCTION
description
2,4-dibromophenyl 2,3,4-tribromophenyl ether is a polybromodiphenyl ether that is diphenyl ether in which the hydrogens at the 2, 3, 4, 2', and 4' positions have been replaced by bromines.