HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 21585Erstellt: 27. Oktober 2026
2-Bromcinnamaldehyd
2-bromo-3-phenyl-2-propenal · (Z)-2-Bromo-3-phenylacrylaldehyde · b36 · b37 · B 37 · Alphabrocine · BROMOCINNAMAL · α-BromocinnamaL
https://huagongshe.com/de/chemical/21585
Identifikatoren & physikalische Daten
| CAS No. | 5443-49-2 |
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| Summenformel | C9H7BrO |
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| Durchschnittliche Molmasse | 211,05 g/mol |
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| Monoisotopische Masse | 209,96803 g/mol |
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| SMILES | O=CC(Br)=Cc1ccccc1 |
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| InChIKey | WQRWNOKNRHCLHV-UHFFFAOYSA-N |
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| PubChem CID | 21585 |
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| EC No. | 226-637-6 |
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| DTXSID | DTXSID301021256 |
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| Lokaler Name | 2-Bromcinnamaldehyd |
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Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
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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 | 2 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 157 |
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| Physical Description | Tan crystalline powder[Alfa Aesar MSDS] |
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| Schmelzpunkt | 66-68 °C(lit.) |
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| Siedepunkt | 304.4±30.0 °C(Predicted) |
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| Dichte | 1.4270 (rough estimate) |
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| Brechungsindex | 1.5720 (estimate) |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | Crystalline Powder |
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| Farbe | Light yellow to ochre |
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| Kosmetik-Inhaltsstoffe Funktionen | FRAGRANCE |
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| InChI | InChI=1S/C9H7BrO/c10-9(7-11)6-8-4-2-1-3-5-8/h1-7H |
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| InChIKey | WQRWNOKNRHCLHV-UHFFFAOYSA-N |
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| SMILES | C(=O)C(Br)=CC1=CC=CC=C1 |
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| LogP (Verteilungskoeffizient) | 2.491 (est) |
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| CAS Datenbank | 5443-49-2(CAS DataBase Reference) |
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| NIST chemische Informationen | 2-Propenal, 2-bromo-3-phenyl-(5443-49-2) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (97.8%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Gefahrenübersicht | Causes somnolence in oral, intraperitoneal, and subcutaneous lethal-dose studies of rats[RTECS] A skin and strong eye irritantToxic by ingestion[Alfa Aesar MSDS] |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2 (100%)STOT SE 3 (97.8%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 3335 |
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| Zollcode | 29130000 |
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| RTECS-Nr. | GD6480000 |
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| R-Sätze (R) | 22-36/37/38 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 26-36/37/39-22 |
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| Lagerklasse | 11 - Combustible Solids |
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