HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 6696Erstellt: 27. Oktober 2026
3-Brombenz[de]anthracen-7-on
3-Brombenzanthrone · 3-Brmobenzanthrone · 3-Bromopyranthrene · 3-BROMOBENZANTHRONE · BROMOBENZANTHRONE(3-) · Benzanthrone, 3-bromo- · 3-BROMOBENZANTHRONE 90% · 3-Bromobenz[de]anthrone
https://huagongshe.com/de/chemical/6696
Identifikatoren & physikalische Daten
| CAS No. | 81-96-9 |
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| Summenformel | C17H9BrO |
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| Durchschnittliche Molmasse | 309,16 g/mol |
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| Monoisotopische Masse | 307,98367701 g/mol |
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| SMILES | O=C1c2ccccc2-c2ccc(Br)c3cccc1c23 |
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| InChIKey | WVECFEIAZAKUNF-UHFFFAOYSA-N |
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| PubChem CID | 6696 |
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| EC No. | 201-390-7 |
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| DTXSID | DTXSID9058860 |
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| Lokaler Name | 3-Brombenz[de]anthracen-7-on |
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Chemische & physikalische Eigenschaften
| XLogP | 5 |
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| Polarare Oberfläche (TPSA) | 17,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 379 |
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| SpringerMaterials Properties | Fusion temperature |
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| Schmelzpunkt | 164-166°C |
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| Siedepunkt | 483.0±14.0 °C(Predicted) |
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| Dichte | 1.4294 (rough estimate) |
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| Brechungsindex | 1.5130 (estimate) |
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| BRN | 1975512 |
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| InChI | InChI=1S/C17H9BrO/c18-15-9-8-11-10-4-1-2-5-12(10)17(19)14-7-3-6-13(15)16(11)14/h1-9H |
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| InChIKey | WVECFEIAZAKUNF-UHFFFAOYSA-N |
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| SMILES | C1=C2C3=C(C=CC(Br)=C3C=C1)C1=C(C2=O)C=CC=C1 |
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| CAS Datenbank | 81-96-9(CAS DataBase Reference) |
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| NIST chemische Informationen | 7H-Benz[de]anthracen-7-one, 3-bromo-(81-96-9) |
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| EPA chemische Informationen | 7H-Benz[de]anthracen-7-one, 3-bromo- (81-96-9) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P233, P260, P261, P264, P270, P271, P272, P280, P284, P301+P317, P302+P352, P304+P340, P316, P321, P330, P333+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 2051 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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| RTECS-Nr. | CX5077000 |
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| R-Sätze (R) | 22 |
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| Sicherheitshinweise (S) | 22-36/37 |
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![Molekülstruktur von 3-Brombenz[de]anthracen-7-on](/img/chemical/6696.png)