HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 347921Erstellt: 4. November 2026
N-Methyl-4-nitrobenzamide
MFCD01211871 · Mirabegron-001 · Benzamide Impurity5 · Mirabegron Impurity 101 · N-Methyl-4-Nitro-Benzamide · Benzamide,N-methyl-4-nitro- · Benzamide, N-methyl-p-nitro- · Mirabegron impurity 7/N-Methyl-4-nitrobenzamide
https://huagongshe.com/de/chemical/347921
Identifikatoren & physikalische Daten
| CAS No. | 2585-23-1 |
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| Summenformel | C8H8N2O3 |
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| Durchschnittliche Molmasse | 180,16 g/mol |
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| Monoisotopische Masse | 180,05349212 g/mol |
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| SMILES | CNC(=O)c1ccc([N+](=O)[O-])cc1 |
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| InChIKey | UZWAQQSVGQEZRY-UHFFFAOYSA-N |
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| PubChem CID | 347921 |
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| EC No. | 104-808-5 |
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| DTXSID | DTXSID00324490 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 74,9 |
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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 | 13 |
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| Formalladung | 0 |
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| Komplexität | 204 |
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| SpringerMaterials Properties | Chemical shift |
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| Schmelzpunkt | 219 °C |
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| Siedepunkt | 382.6±25.0 °C(Predicted) |
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| Dichte | 1.272±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Store at room temperature |
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| pKa (Säurekonstante) | 13+-.0.46(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P272, P280, P301+P317, P302+P352, P321, P330, P333+P317, P362+P364, 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. 4 (100%) |
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| Zollcode | 2924297099 |
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