HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-Chlor-6-phenylpyridazin
3-Chloro-6-phenylpyridazine · 6-Chloro-3-phenylpyridazine · 3-Phenyl-6-chloropyridazine · 6-Phenyl-3-chloropyridazine · Pyridazine,3-chloro-6-phenyl- · 3-Chloro-6-phenylpyridazine97% · 3-Chloro-6-phenylpyridazine 97% · JR-8838, 3-Chloro-6-phenylpyridazine, 97%
Identifikatoren & physikalische Daten
| CAS No. | 20375-65-9 |
|---|---|
| Summenformel | C10H7ClN2 |
| Durchschnittliche Molmasse | 190,63 g/mol |
| Monoisotopische Masse | 190,0297759 g/mol |
| SMILES | Clc1ccc(-c2ccccc2)nn1 |
| InChIKey | BUBRFWDEAVIFMV-UHFFFAOYSA-N |
| PubChem CID | 88515 |
| ChEMBL | CHEMBL1874651 |
| EC No. | 243-772-6 |
| DTXSID | DTXSID10174302 |
| Lokaler Name | 3-Chlor-6-phenylpyridazin |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 157 |
| Löslichkeit | 10.3 [ug/mL] (The mean of the results at pH 7.4)Chloroform (Sparingly), Methanol (Slightly, Heated) |
| Schmelzpunkt | 159-161 °C (lit.) |
| Siedepunkt | 375.0±22.0 °C(Predicted) |
| Dichte | 1.245±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 0.42±0.10(Predicted) |
| Farbe | Light Brown |
| InChI | 1S/C10H7ClN2/c11-10-7-6-9(12-13-10)8-4-2-1-3-5-8/h1-7H |
| InChIKey | BUBRFWDEAVIFMV-UHFFFAOYSA-N |
| SMILES | Clc1ccc(nn1)-c2ccccc2 |
| CAS Datenbank | 20375-65-9(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 42 reports by companies from 5 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 |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
3-Chloro-6-phenylpyridazine may be used in the synthesis of 6-substituted phenyl-2-(3í-substituted phenylpyridazin-6í-yl)-2,3,4,5-tetrahydropyridazin-3-ones.