HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methylpyridin-2-carbonitril
2-CYANO-3-METHYLPYRIDINE · 2-CYANO-3-PICOLINE · 2-Hydroxy-6-bromopyridine · 3-METHYL-2-PYRIDINECARBONITRILE · 2-Cyanopicoline · 2-Cyano-3-methyL · 2-Cyano-B-picoline · 3-Methylpicolinonitr
Identifikatoren & physikalische Daten
| CAS No. | 20970-75-6 |
|---|---|
| Summenformel | C7H6N2 |
| Durchschnittliche Molmasse | 118,14 g/mol |
| Monoisotopische Masse | 118,05309819 g/mol |
| SMILES | Cc1cccnc1C#N |
| InChIKey | WBXZCDIZXWDPBL-UHFFFAOYSA-N |
| PubChem CID | 819928 |
| EC No. | 244-131-3 |
| DTXSID | DTXSID60943262 |
| Lokaler Name | 3-Methylpyridin-2-carbonitril |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| 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(lit.) |
| Siedepunkt | 141°C 38mm |
| Dichte | 1.1151 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Flammpunkt | 115°C |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | -0.03±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Light beige |
| BRN | 112001 |
| InChI | 1S/C7H6N2/c1-6-3-2-4-9-7(6)5-8/h2-4H,1H3 |
| InChIKey | WBXZCDIZXWDPBL-UHFFFAOYSA-N |
| SMILES | Cc1cccnc1C#N |
| CAS Datenbank | 20970-75-6(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (12.1%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, 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 58 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (12.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3439 |
| Zollcode | 29333999 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-36/37 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Methylpicolinonitrile is a useful chemical reagent. It has been used in the synthesis of, triazolo[1,5-c]pyrimidines as potential antiasthma agents; s-tetrazine derivatives as anti-tumor agents.