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4,5-Dichlor-2,3-dihydro-2-phenylpyridazin-3-on
1-Phenyl-4 · AKOS B029234 · AURORA KA-446 · OTAVA-BB BB0128630037 · 5-dichloro-6-pyridazone · 1-fenyl-4,5-dichlor-6-pyridazinon · 1-Phenyl-4,5-dichloro-6-pyridazine · 1-PHENYL-4,5-DICHLORO-5-PYRIDAZONE
Identifikatoren & physikalische Daten
| CAS No. | 1698-53-9 |
|---|---|
| Summenformel | C10H6Cl2N2O |
| Durchschnittliche Molmasse | 241,07 g/mol |
| Monoisotopische Masse | 239,98571817 g/mol |
| SMILES | O=c1c(Cl)c(Cl)cnn1-c1ccccc1 |
| InChIKey | VKWCOHVAHQOJGU-UHFFFAOYSA-N |
| PubChem CID | 72813 |
| ChEMBL | CHEMBL610198 |
| EC No. | 216-917-6 |
| DTXSID | DTXSID60168751 |
| Lokaler Name | 4,5-Dichlor-2,3-dihydro-2-phenylpyridazin-3-on |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 32,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 332 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 164-166 °C (lit.) |
| Siedepunkt | 307.0±52.0 °C(Predicted) |
| Dichte | 1.4887 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | -3.44±0.60(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | Light beige |
| InChI | 1S/C10H6Cl2N2O/c11-8-6-13-14(10(15)9(8)12)7-4-2-1-3-5-7/h1-6H |
| InChIKey | VKWCOHVAHQOJGU-UHFFFAOYSA-N |
| SMILES | ClC1=C(Cl)C(=O)N(N=C1)c2ccccc2 |
| CAS Datenbank | 1698-53-9(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 41 reports by companies from 4 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) | 2 |
| Zollcode | 29339980 |
| RTECS-Nr. | UR6200000 |
| 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
1-Phenyl-4,5-dichloro-6-pyridazone is part of a group of arylated pyridazin-3(2H)-one compounds that act as anti-cancer agents. 1-Phenyl-4,5-dichloro-6-pyridazone also has herbicidal activity.