HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-Methylpyridin-2-carbonitril
5-Methylpicolinonitrile · 6-Cyano-3-picoline · 5-Methypicolinonitrile · -pyridine-2-carbonitriL · 5-Methyl-2-cyanopyridine · 2-CYANO-5-METHYLPYRIDINE · 2-Cyano-5-methylpyridine >2-Cyano-5-methylpyridine ,97% · 5-Methylpyridin-2-carbonitrile
Identifikatoren & physikalische Daten
| CAS No. | 1620-77-5 |
|---|---|
| Summenformel | C7H6N2 |
| Durchschnittliche Molmasse | 118,14 g/mol |
| Monoisotopische Masse | 118,05309819 g/mol |
| SMILES | Cc1ccc(C#N)nc1 |
| InChIKey | LIEQVZZZYLHNRH-UHFFFAOYSA-N |
| PubChem CID | 74183 |
| EC No. | 216-589-4 |
| DTXSID | DTXSID20167285 |
| Lokaler Name | 5-Methylpyridin-2-carbonitril |
Chemische & physikalische Eigenschaften
| XLogP | 1,4 |
|---|---|
| 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 | 73-75°C |
| Siedepunkt | 140°C/20mmHg(lit.) |
| Dichte | 1.08±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | -0.03±0.10(Predicted) |
| Farbe | White to Almost white |
| InChI | InChI=1S/C7H6N2/c1-6-2-3-7(4-8)9-5-6/h2-3,5H,1H3 |
| InChIKey | LIEQVZZZYLHNRH-UHFFFAOYSA-N |
| SMILES | C1(C#N)=NC=C(C)C=C1 |
| CAS Datenbank | 1620-77-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (20%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, 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 5 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (20%) |
| UN-Transportnummer | 3439 |
| Zollcode | 2933399990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | Ⅲ |
Anwendungen & Verwendung
Verwenden
2-Cyano-5-methylpyridine (5-methylpicolinonitrile) is a methylpyridine analogue mainly used as a raw material or intermediate component in organic synthesis. It is used in the synthesis of 5-Methylpicolinaldehyde and its derivatives.