Identifikatoren & physikalische Daten
| CAS No. | 615-43-0 |
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| Summenformel | C6H6IN |
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| Durchschnittliche Molmasse | 219,02 g/mol |
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| Monoisotopische Masse | 218,95449719 g/mol |
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| SMILES | Nc1ccccc1I |
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| InChIKey | UBPDKIDWEADHPP-UHFFFAOYSA-N |
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| PubChem CID | 11995 |
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| EC No. | 210-426-0 |
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| DTXSID | DTXSID5060649 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
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| Polarare Oberfläche (TPSA) | 26 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 1 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 74,9 |
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| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
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| LogP (Verteilungskoeffizient) | 2.32 |
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| Schmelzpunkt | 56.5 °C |
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| Siedepunkt | 262.0±23.0 °C(Predicted) |
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| Dichte | 1.924±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 2.54±0.10(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (96.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 51 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | Chemical: Benzenamine, 2-iodo-Benzenamine, 2-iodo-: Does not have an individual approval but may be used under an appropriate group standard |
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| Weitere Sicherheitsinformationen | Evaluation - Chemicals not considered for in depth evaluation - Not commercially active in Australia |
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| Hazard Classes and Categories | Acute Tox. 4 (96.1%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H315 |
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