HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Chlor-6-methoxypyridazin
NSC 69819 · NSC 522667 · TIMTEC-BB SBB004124 · SPECS AC-907/25014054 · 3-Chloro-6-methoxypyrazine · 6-Chloro-3-methoxypyridazine · 3-Methoxy-6-chloropyridazine · 3-Chloro-6-methoxypyridazine
Identifikatoren & physikalische Daten
| CAS No. | 1722-10-7 |
|---|---|
| Summenformel | C5H5ClN2O |
| Durchschnittliche Molmasse | 144,56 g/mol |
| Monoisotopische Masse | 144,00904046 g/mol |
| SMILES | COc1ccc(Cl)nn1 |
| InChIKey | XBJLKXOOHLLTPG-UHFFFAOYSA-N |
| PubChem CID | 74403 |
| EC No. | 217-019-7 |
| DTXSID | DTXSID10169213 |
| Lokaler Name | 3-Chlor-6-methoxypyridazin |
Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
|---|---|
| Polarare Oberfläche (TPSA) | 35 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 91 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| LogP (Verteilungskoeffizient) | 0.89 |
| Schmelzpunkt | 84-85 °C(lit.) |
| Siedepunkt | 285℃ |
| Dichte | 1.292 |
| Flammpunkt | 126℃ |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 0.74±0.10(Predicted) |
| Farbe | White to Almost white |
| BRN | 118854 |
| InChI | InChI=1S/C5H5ClN2O/c1-9-5-3-2-4(6)7-8-5/h2-3H,1H3 |
| InChIKey | XBJLKXOOHLLTPG-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NN=C(OC)C=C1 |
| CAS Datenbank | 1722-10-7(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 46 reports by companies from 6 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 | 2933998090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3-Chloro-6-methoxypyridazine was used in the preparation of number of α-aryl-α-(pyridazin-3-yl)-acetonitriles.