Identifikatoren & physikalische Daten
| CAS No. | 24541-43-3 |
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| Summenformel | C6H5N3O |
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| Durchschnittliche Molmasse | 135,12 g/mol |
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| SMILES | [N-]=[N+]=Nc1ccc(O)cc1 |
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| InChIKey | ABSZNIJDTSIVHN-UHFFFAOYSA-N |
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| PubChem CID | 11622340 |
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| ChEMBL | CHEMBL3236182 |
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| EC No. | 880-549-8 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,7 |
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| Polarare Oberfläche (TPSA) | 34,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 145 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P260, P264, P270, P301+P316, P319, P321, P330, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 3 (100%) |
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