Identifikatoren & physikalische Daten
| CAS No. | 65750-02-9 |
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| Summenformel | C7H5N3O2 |
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| Durchschnittliche Molmasse | 163,13 g/mol |
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| SMILES | O=[N+]([O-])c1ccc2c[nH]nc2c1 |
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| InChIKey | ORZRMRUXSPNQQL-UHFFFAOYSA-N |
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| ChEMBL | CHEMBL54277 |
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| EC No. | 231-500-9 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 74,5 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 0 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 192 |
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| Arzneimittel | Pharmaceuticals -> Listed in ZINC15 |
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| SpringerMaterials Properties | Chemical shift |
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| LogP (Verteilungskoeffizient) | 2.06 |
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| Löslichkeit | >24.5 [ug/mL] (The mean of the results at pH 7.4) |
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| Ionization Efficiency | Positive1.782.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
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| Lagerbedingungen | Storage temp. 2-8°C |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (91.3%): Harmful if swallowed [Warning Acute toxicity, oral]P203, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P318, 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. |
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| Regulatorische Informationen | Chemical: 1H-Indazole, 6-nitro- |
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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 (91.3%) |
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| Zollcode | 2933998090 |
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