HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2764021Erstellt: 4. November 2026
1-Benzyl-2-oxo-1,2-dihydropyridine-3-carboxylic acid
1-BENZYL-2-OXO-1,2-DIHYDRO-3-PYRIDINECARBOXYLIC ACID · 3-Pyridinecarboxylic acid, 1,2-dihydro-2-oxo-1-(phenylmethyl)-
https://huagongshe.com/de/chemical/2764021
Identifikatoren & physikalische Daten
| CAS No. | 89960-36-1 |
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| Summenformel | C13H11NO3 |
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| Durchschnittliche Molmasse | 229,23 g/mol |
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| Monoisotopische Masse | 229,07389321 g/mol |
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| SMILES | O=C(O)c1cccn(Cc2ccccc2)c1=O |
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| InChIKey | JMUXBAQFXTYJBB-UHFFFAOYSA-N |
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| PubChem CID | 2764021 |
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| EC No. | 829-779-2 |
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| DTXSID | DTXSID10377255 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
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| Polarare Oberfläche (TPSA) | 57,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 17 |
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| Formalladung | 0 |
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| Komplexität | 378 |
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| Schmelzpunkt | 133,5-134,5°C |
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| Siedepunkt | 472.8±45.0 °C(Predicted) |
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| Dichte | 1.355±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 2.60±0.20(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, 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 | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| Zollcode | 2933399990 |
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| R-Sätze (R) | 36/37/38 |
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| Sicherheitshinweise (S) | 26-36/37/39 |
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| Gefahrenklasse | IRRITANT |
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