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3,6-Dichlor-4-methylpyridazin
SW-104 · SWF-104 · BUTTPARK 47\04-25 · 3,6-Dichloro-4-Methy · Risdiplam Impurity 11 · 3,6-Dichloro-4-Methyl-pyr... · 3,6-Dichloro-5-methylpyridazine · 4-METHYL-3,6-DICHLOROPYRIDAZINE
Identifikatoren & physikalische Daten
| CAS No. | 19064-64-3 |
|---|---|
| Summenformel | C5H4Cl2N2 |
| Durchschnittliche Molmasse | 163 g/mol |
| Monoisotopische Masse | 161,97515349 g/mol |
| SMILES | Cc1cc(Cl)nnc1Cl |
| InChIKey | ROYHWGZNGMXQEU-UHFFFAOYSA-N |
| PubChem CID | 87923 |
| EC No. | 242-794-3 |
| DTXSID | DTXSID10172560 |
| Lokaler Name | 3,6-Dichlor-4-methylpyridazin |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 99 |
| Schmelzpunkt | 86-88 °C (lit.) |
| Siedepunkt | 149-151 °C/21 mmHg (lit.) |
| Dichte | 1.5462 (rough estimate) |
| Brechungsindex | 1.6300 (estimate) |
| Flammpunkt | 149-151°C/21mm |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | soluble in Methanol |
| pKa (Säurekonstante) | -0.56±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Brown |
| BRN | 119573 |
| InChI | InChI=1S/C5H4Cl2N2/c1-3-2-4(6)8-9-5(3)7/h2H,1H3 |
| InChIKey | ROYHWGZNGMXQEU-UHFFFAOYSA-N |
| SMILES | C1(Cl)=NN=C(Cl)C=C1C |
| CAS Datenbank | 19064-64-3(CAS DataBase Reference) |
| NIST chemische Informationen | Pyridazine, 3,6-dichloro-4-methyl-(19064-64-3) |
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 49 reports by companies from 9 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) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-37/39-36/37/39-22 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
3,6-Dichloro-4-methylpyridazine has been used in the synthesis of 7-methyl-2-phenylimidazo[1,2-b]pyridazine-3-carboxylic acid.