HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 2736776Erstellt: 26. Oktober 2026
2-Methoxy-5-pyridinecarbonitrile
6-METHOXYNICOTINONITRILE · 2-Met · BUTTPARK 43\57-71 · 2-methoxy-5-Cyanopyridine · 5-CYANO-2-METHOXYPYRIDINE · 6-Methoxynicotinonitrile 97% · 6-methoxy-3-pyridinecarbonitrile · 2-METHOXYPYRIDINE-5-CARBONITRILE
https://huagongshe.com/de/chemical/2736776
Identifikatoren & physikalische Daten
| CAS No. | 15871-85-9 |
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| Summenformel | C7H6N2O |
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| Durchschnittliche Molmasse | 134,14 g/mol |
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| Monoisotopische Masse | 134,04801281 g/mol |
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| SMILES | COc1ccc(C#N)cn1 |
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| InChIKey | DFPYAQAFVHRSAG-UHFFFAOYSA-N |
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| PubChem CID | 2736776 |
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| EC No. | 625-759-0 |
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| DTXSID | DTXSID50371595 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
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| Polarare Oberfläche (TPSA) | 45,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 149 |
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| Schmelzpunkt | 93-97 °C (lit.) |
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| Siedepunkt | 243.0±20.0 °C(Predicted) |
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| Dichte | 1.16±0.1 g/cm3(Predicted) |
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| Lagerbedingungen | Inert atmosphere,Room Temperature |
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| Aggregatzustand | solid |
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| pKa (Säurekonstante) | -0.05±0.10(Predicted) |
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| Farbe | White |
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| InChI | 1S/C7H6N2O/c1-10-7-3-2-6(4-8)5-9-7/h2-3,5H,1H3 |
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| InChIKey | DFPYAQAFVHRSAG-UHFFFAOYSA-N |
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| SMILES | COc1ccc(cn1)C#N |
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| CAS Datenbank | 15871-85-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (97.6%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P272, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 5 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. 3 (97.6%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | 3276 |
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| Zollcode | 2933399990 |
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| R-Sätze (R) | 20/21/22-43-41-37/38 |
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| Gefahrensymbole | Xi,Xn |
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| Sicherheitshinweise (S) | 26-36/37/39-36/37 |
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| Gefahrenklasse | IRRITANTAcute Tox. 3 OralEye Dam. 1Skin Irrit. 2Skin Sens. 1STOT SE 3 |
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| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
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