Identifikatoren & physikalische Daten
| CAS No. | 300-57-2 |
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| Summenformel | C9H10 |
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| Durchschnittliche Molmasse | 118,18 g/mol |
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| Monoisotopische Masse | 118,07825032 g/mol |
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| SMILES | C=CCc1ccccc1 |
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| InChIKey | HJWLCRVIBGQPNF-UHFFFAOYSA-N |
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| PubChem CID | 9309 |
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| ChEMBL | CHEMBL501879 |
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| EC No. | 206-095-7 |
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| DTXSID | DTXSID00861855 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
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| Polarare Oberfläche (TPSA) | 0 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 0 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 9 |
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| Formalladung | 0 |
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| Komplexität | 78 |
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| Stoffklassen | Other Classes -> Aromatic Hydrocarbons |
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| SpringerMaterials Properties | Boiling point |
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| LogP (Verteilungskoeffizient) | 3.23 |
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| Dampfdruck | 1.69 [mmHg] |
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| Physical Description | Clear light yellow liquid[Aldrich MSDS] |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (98.8%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P280, P301+P316, P303+P361+P353, P331, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 84 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: Benzene, 2-propenyl-Allylbenzene: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | IMAP assessments - Benzene, 2-propenyl-: Environment tier I assessment |
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| Gefahrenübersicht | Causes somnolence and coma in oral lethal-dose studies of ratsCauses changes in cochlear structure/function and weight loss in 2-week intermittent oral study of rats[RTECS] May cause irritationHarmful by ingestionAspiration may cause lung damage[Aldrich MSDS] |
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| Hazard Classes and Categories | Flam. Liq. 3 (98.8%) |
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| Unerwünschte Wirkungen | Neurotoxin - Acute solvent syndrome |
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| Alarmwort | Achtung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H226 |
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