HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Methylpyridin-2-carbonitril
2-CYANO-6-METHYLPYRIDINE · NSC 26022 · 6-Cyanopicoline · 6-Cyano-2-picoline · Cyano-6-Methylpyrid · 6-Methyl-2-cyanopyridine · 2-Methyl-6-cyanopyridine · 6-Cyano-2-methylpyridine
Identifikatoren & physikalische Daten
| CAS No. | 1620-75-3 |
|---|---|
| Summenformel | C7H6N2 |
| Durchschnittliche Molmasse | 118,14 g/mol |
| Monoisotopische Masse | 118,05309819 g/mol |
| SMILES | Cc1cccc(C#N)n1 |
| InChIKey | CMADFEQMYFNYCF-UHFFFAOYSA-N |
| PubChem CID | 74182 |
| EC No. | 216-588-9 |
| DTXSID | DTXSID60167284 |
| Lokaler Name | 6-Methylpyridin-2-carbonitril |
Chemische & physikalische Eigenschaften
| XLogP | 0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 36,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 133 |
| LogP (Verteilungskoeffizient) | 0.84 |
| Schmelzpunkt | 70-74 °C(lit.) |
| Siedepunkt | 0°C |
| Dichte | 1.08±0.1 g/cm3(Predicted) |
| Flammpunkt | 0°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Dichloromethane, Hexane |
| pKa (Säurekonstante) | 0.40±0.10(Predicted) |
| Aggregatzustand | Solid |
| Farbe | Off-white |
| InChI | 1S/C7H6N2/c1-6-3-2-4-7(5-8)9-6/h2-4H,1H3 |
| InChIKey | CMADFEQMYFNYCF-UHFFFAOYSA-N |
| SMILES | Cc1cccc(n1)C#N |
| CAS Datenbank | 1620-75-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3439 6.1/PG III |
| Zollcode | 29333990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Intermediate in the preparation of selective cyclooxygenase-2 inhibitors and calcium antagonists