HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methylisonicotinonitril
3-methylisonicotinonitrile · Einecs 231-491-1 · 4-Cyano-3-picoline · 4-Cyano-3-methylpyridine · 3-Methyl-4-cyanopyridine · 3-Methyl-4-pyridinecarbonitrile · 3-Methylpyridine-4-carbonitrile · 4-Pyridinecarbonitrile,3-Methyl-
Identifikatoren & physikalische Daten
| CAS No. | 7584-05-6 |
|---|---|
| Summenformel | C7H6N2 |
| Durchschnittliche Molmasse | 118,14 g/mol |
| Monoisotopische Masse | 118,05309819 g/mol |
| SMILES | Cc1cnccc1C#N |
| InChIKey | SFNWPKSTEHBXSY-UHFFFAOYSA-N |
| PubChem CID | 82063 |
| EC No. | 231-491-1 |
| DTXSID | DTXSID50226733 |
| Lokaler Name | 3-Methylisonicotinonitril |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 36,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 133 |
| Schmelzpunkt | 51-52℃ |
| Siedepunkt | 223℃ |
| Dichte | 1.08 |
| Flammpunkt | 90℃ |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 2.17±0.18(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): 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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 2933399990 |
Anwendungen & Verwendung
Verwenden
4-Cyano-3-methylpyridine is an intermediate used to synthesis of azaindenoisoquinoline as topoisomerase I inhibitors and potential anticancer agents.