HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Cyano-4-methylpyridine
4-Methylpicolinonitrile · 4-METHYL-2-PYRIDINECARBONITRILE · 2-CYANO-4-PICOLINE · 2-Cyano-4-methylpyridine · 2-Cyano-4-methylpyridine >2-Cyano-4-methylpyridine ,98% · 4-Methylpyridin-2-carbonitrile · 4-METHYLPYRIDINE-2-CARBONITRILE · 2-Pyridinecarbonitrile, 4-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 1620-76-4 |
|---|---|
| Summenformel | C7H6N2 |
| Durchschnittliche Molmasse | 118,14 g/mol |
| SMILES | Cc1ccnc(C#N)c1 |
| InChIKey | LQAWSWUFSHYCHP-UHFFFAOYSA-N |
| PubChem CID | 88739 |
| EC No. | 627-197-1 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| 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 | 83-87 °C |
| Siedepunkt | 145-148°C 38mm |
| Dichte | 1.08±0.1 g/cm3(Predicted) |
| Flammpunkt | 145-148°C/38mm |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 0.35±0.10(Predicted) |
| Aggregatzustand | powder to crystal |
| Farbe | White to Gray to Brown |
| Löslichkeit | Slightly soluble in water. |
| BRN | 110753 |
| InChI | InChI=1S/C7H6N2/c1-6-2-3-9-7(4-6)5-8/h2-4H,1H3 |
| InChIKey | LQAWSWUFSHYCHP-UHFFFAOYSA-N |
| SMILES | C1(C#N)=NC=CC(C)=C1 |
| CAS Datenbank | 1620-76-4(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (91.1%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P351+P338, P305+P354+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 45 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 3 (91.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3276 |
| Zollcode | 29333990 |
| R-Sätze (R) | 20/21/22-41-37/38-22-36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-36/37-39-26-36 |
| Gefahrenklasse | 6.1Acute Tox. 3 OralEye Dam. 1Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
2-Cyano-4-methylpyridine can react to produce C7H7NO2.ClH. This reaction will need reagent 6 NHCl.