Identifikatoren & physikalische Daten
| CAS No. | 918903-42-1 |
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| Summenformel | C7H7N3 |
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| Durchschnittliche Molmasse | 133,15 g/mol |
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| SMILES | Nc1ccc2n[nH]cc2c1 |
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| InChIKey | XBTOSRUBOXQWBO-UHFFFAOYSA-N |
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| ChEMBL | CHEMBL17551 |
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| EC No. | 242-971-5 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
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| Polarare Oberfläche (TPSA) | 54,7 |
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| H-Brücken-Donoren | 2 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 126 |
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| LogP (Verteilungskoeffizient) | 0.65 |
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| Löslichkeit | 17.9 [ug/mL] (The mean of the results at pH 7.4) |
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| Siedepunkt | 204.3±23.0 °C(Predicted) |
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| Dichte | 1.367±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 15.63±0.30(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 49 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | 1H-Indazol-5-amine: Does not have an individual approval but may be used under an appropriate group standard |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
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