Identifikatoren & physikalische Daten
| CAS No. | 555-15-7 |
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| Summenformel | C5H4N2O4 |
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| Durchschnittliche Molmasse | 156,1 g/mol |
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| Monoisotopische Masse | 156,01710661 g/mol |
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| SMILES | O=[N+]([O-])c1ccc(C=NO)o1 |
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| InChIKey | PTBKFATYSVLSSD-UHFFFAOYSA-N |
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| PubChem CID | 22601 |
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| ChEMBL | CHEMBL2362258 |
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| ChEBI | CHEBI:134784 |
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| EC No. | 209-082-4 |
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| DTXSID | DTXSID50904488 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,3 |
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| Polarare Oberfläche (TPSA) | 91,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 176 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (80%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Sens. 1 (20%) |
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