HuagongsheHuagongshe Chemistry Print Report · For research reference only
HCID 19084Generated: November 1, 2026
Pentabromophenyl allyl ether
FLAMMEX5AE · PENTABROMOPHENYLALLYLETHER · allyl pentabromophenyl ether · 2,3,4,5,6-Pentabromo-1-(2-propenyloxy)benzene · Benzene, 1,2,3,4,5-pentabromo-6-(2-propen-1-yloxy)-
https://huagongshe.com/en/chemical/19084
Identifiers & Physical Properties
| CAS No. | 3555-11-1 |
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| Molecular formula | C9H5Br5O |
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| Average molar mass | 528.7 g/mol |
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| Monoisotopic mass | 523.62573 g/mol |
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| SMILES | C=CCOc1c(Br)c(Br)c(Br)c(Br)c1Br |
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| InChIKey | VCNJVIWFSMCZPE-UHFFFAOYSA-N |
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| PubChem CID | 19084 |
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| EC No. | 222-610-8 |
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| DTXSID | DTXSID5063071 |
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Chemical & Physical Properties
| XLogP | 6 |
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| Topological polar surface area | 9.2 |
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| Hydrogen bond donors | 0 |
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| Hydrogen bond acceptors | 1 |
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| Rotatable bonds | 3 |
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| Heavy atoms | 15 |
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| Formal charge | 0 |
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| Complexity | 209 |
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| Boiling point | 420.4±40.0 °C(Predicted) |
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| Density | 2.5128 (rough estimate) |
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| Refractive index | 1.5000 (estimate) |
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| FDA UNII | 381IAR73BG |
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| EPA Substance Registry System | Allyl pentabromophenyl ether (3555-11-1) |
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| GHS hazard statements | H413 |
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| TSCA inventory status | TSCA listed |
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| Toxicity | mor-ham:kdy 1900 mg/L EPASR* 8EHQ-0179-0268 |
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Safety & Regulations
| GHS classification | H413 (100%): May cause long lasting harmful effects to aquatic life [Hazardous to the aquatic environment, long-term hazard]P273, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Aquatic Chronic 4 (100%) |
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| TSCA inventory status | TSCA listed |
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| Toxicity | mor-ham:kdy 1900 mg/L EPASR* 8EHQ-0179-0268 |
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| GHS hazard statements | H413 |
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