182677-30-1
Product Name:
2,2',3,4,4',5'-HEXABDE
Formula:
C12H4Br6O
Synonyms:
2,2′,3,4,4′,5′-HexaBDE;2,2′,3,4,4′,5′-Hexabromodiphenyl ether solution;PBDE 138
Inquiry
CHEMICAL AND PHYSICAL PROPERTIES
| Collision Cross Section | 184.2 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 | 643.6 g/mol |
|---|---|
| XLogP3 | 7.6 |
| Hydrogen Bond Donor Count | 0 |
| Hydrogen Bond Acceptor Count | 1 |
| Rotatable Bond Count | 2 |
| Exact Mass | 643.53009 g/mol |
| Monoisotopic Mass | 637.53624 g/mol |
| Topological Polar Surface Area | 9.2 Ų |
| Heavy Atom Count | 19 |
| Formal Charge | 0 |
| Complexity | 304 |
| 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 |
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