HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 260511Erstellt: 3. November 2026
2-Oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile
3-Cyano-2-hydroxy-6-phenylpyridine · 2-Hydroxy-6-phenylpyridine-3-carbonitrile · 2-oxo-6-phenyl-1H-pyridine-3-carbonitrile · 2-keto-6-phenyl-1H-pyridine-3-carbonitrile · 2-oxo-6-phenyl-1,2-dihydropyridine-3-carbonitrile · 2-Oxo-6-phenyl-1,2-dihydro-3-pyridinecarbonitrile · 3-Pyridinecarbonitrile, 1,2-dihydro-2-oxo-6-phenyl-
https://huagongshe.com/de/chemical/260511
Identifikatoren & physikalische Daten
| CAS No. | 43083-13-2 |
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| Summenformel | C12H8N2O |
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| Durchschnittliche Molmasse | 196,2 g/mol |
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| Monoisotopische Masse | 196,06366288 g/mol |
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| SMILES | N#Cc1ccc(-c2ccccc2)[nH]c1=O |
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| InChIKey | KTUZHAVCKLQHCN-UHFFFAOYSA-N |
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| PubChem CID | 260511 |
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| EC No. | 809-371-0 |
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| DTXSID | DTXSID30293746 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 52,9 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 2 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 15 |
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| Formalladung | 0 |
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| Komplexität | 378 |
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| Schmelzpunkt | 353-355° |
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| Siedepunkt | 437.0±45.0 °C(Predicted) |
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| Dichte | 1.26±0.1 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 7.73±0.10(Predicted) |
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| Aggregatzustand | solid |
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| InChI | 1S/C12H8N2O/c13-8-10-6-7-11(14-12(10)15)9-4-2-1-3-5-9/h1-7H,(H,14,15) |
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| InChIKey | KTUZHAVCKLQHCN-UHFFFAOYSA-N |
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| SMILES | Oc1nc(ccc1C#N)-c2ccccc2 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 39 reports by companies from 1 notifications to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2933399990 |
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| R-Sätze (R) | 22 |
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| Gefahrensymbole | Xn |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
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| Lagerklasse | 11 - Combustible Solids |
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