HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Methylpyridazin
SKL034 · 3-Methylpyridazin · 3-METHYLPYRIDAZINE · 3-Methyl-1,2-diazine · Pyridazine,3-methyl- · Pyridazine, 3-methyl- · 3-Methylpyridazine>3-Methylpyridazine,99% · 3-Methylpyridazine, 98%
Identifikatoren & physikalische Daten
| CAS No. | 1632-76-4 |
|---|---|
| Summenformel | C5H6N2 |
| Durchschnittliche Molmasse | 94,11 g/mol |
| Monoisotopische Masse | 94,05309819 g/mol |
| SMILES | Cc1cccnn1 |
| InChIKey | MXDRPNGTQDRKQM-UHFFFAOYSA-N |
| PubChem CID | 74208 |
| EC No. | 216-640-0 |
| DTXSID | DTXSID80167529 |
| Lokaler Name | 3-Methylpyridazin |
Chemische & physikalische Eigenschaften
| XLogP | -0,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 54 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| LogP (Verteilungskoeffizient) | -0.35 |
| Schmelzpunkt | 184°C |
| Siedepunkt | 214 °C (lit.) |
| Dichte | 1.031 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.514(lit.) |
| Flammpunkt | 190 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Chloroform, Methanol (Slightly) |
| pKa (Säurekonstante) | 3.47±0.10(Predicted) |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow to brown |
| Wichte | 1.031 |
| BRN | 105691 |
| InChI | 1S/C5H6N2/c1-5-3-2-4-6-7-5/h2-4H,1H3 |
| InChIKey | MXDRPNGTQDRKQM-UHFFFAOYSA-N |
| SMILES | Cc1cccnn1 |
| CAS Datenbank | 1632-76-4(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 110 reports by companies from 7 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 |
| Zollcode | 29339980 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-Methylpyridazine can be used to diagnose and treat cardiovascular diseases and conditions.