HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 69856Erstellt: 26. Oktober 2026
2-Hydroxy-4,6-dimethylnicotinonitril
4,6-DIMETHYL-2-OXO-1,2-DIHYDROPYRIDINE-3-CARBONITRILE · 2-HYDROXY-4,6-DIMETHYLNICOTINONITRILE · AKOS B029123 · AKOS B016302 · AKOS BB/0096 · Compound Fr13659 · AKOS BBS-00008241 · Guareschi Pyridone
https://huagongshe.com/de/chemical/69856
Identifikatoren & physikalische Daten
| CAS No. | 769-28-8 |
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| Summenformel | C8H8N2O |
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| Durchschnittliche Molmasse | 148,16 g/mol |
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| Monoisotopische Masse | 148,06366288 g/mol |
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| SMILES | Cc1cc(C)c(C#N)c(=O)[nH]1 |
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| InChIKey | OCYMJCILWYHKAU-UHFFFAOYSA-N |
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| PubChem CID | 69856 |
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| ChEBI | CHEBI:194823 |
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| EC No. | 212-207-5 |
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| DTXSID | DTXSID3022118 |
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| Lokaler Name | 2-Hydroxy-4,6-dimethylnicotinonitril |
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Chemische & physikalische Eigenschaften
| XLogP | 0,4 |
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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 | 0 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 314 |
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| Schmelzpunkt | 285-287 °C (lit.) |
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| Siedepunkt | 268.75°C (rough estimate) |
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| Dichte | 1.1828 (rough estimate) |
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| Brechungsindex | 1.6000 (estimate) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Aggregatzustand | powder to crystal |
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| pKa (Säurekonstante) | 9.06±0.10(Predicted) |
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| Farbe | White to Light yellow to Light orange |
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| BRN | 130992 |
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| InChI | InChI=1S/C8H8N2O/c1-5-3-6(2)10-8(11)7(5)4-9/h3H,1-2H3,(H,10,11) |
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| InChIKey | OCYMJCILWYHKAU-UHFFFAOYSA-N |
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| SMILES | C1(=O)NC(C)=CC(C)=C1C#N |
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| CAS Datenbank | 769-28-8(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (97.9%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (97.9%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 3276 |
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| Zollcode | 29333990 |
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| RTECS-Nr. | QT3046500 |
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| R-Sätze (R) | 20/21/22-36/37/38 |
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| Gefahrensymbole | Xn,Xi |
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| Sicherheitshinweise (S) | 26-37/39 |
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| Gefahrenklasse | IRRITANTAcute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
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| Lagerklasse | 11 - Combustible Solids |
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