HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4,5-Dichloro-3-hydroxypyridazine
4,5-DICHLOROPYRIDAZIN-3(2H)-ONE · 4,5-DICHLORO-3-HYDROXYPYRIDAZINE · 4,5-DICHLORO-2H-PYRIDAZIN-3-ONE · NSC 16127 · NSC 17182 · NSC 240022 · AKOS B029197 · AURORA KA-447
Identifikatoren & physikalische Daten
| CAS No. | 932-22-9 |
|---|---|
| Summenformel | C4H2Cl2N2O |
| Durchschnittliche Molmasse | 164,97 g/mol |
| Monoisotopische Masse | 163,95441804 g/mol |
| SMILES | O=c1[nH]ncc(Cl)c1Cl |
| InChIKey | VJWXIRQLLGYIDI-UHFFFAOYSA-N |
| PubChem CID | 73247 |
| ChEMBL | CHEMBL168980 |
| EC No. | 629-394-8 |
| DTXSID | DTXSID90239322 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 41,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 209 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 204-206 °C(lit.) |
| Dichte | 1.76±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 8.39±0.60(Predicted) |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to yellow |
| BRN | 120959 |
| InChI | InChI=1S/C4H2Cl2N2O/c5-2-1-7-8-4(9)3(2)6/h1H,(H,8,9) |
| InChIKey | VJWXIRQLLGYIDI-UHFFFAOYSA-N |
| SMILES | C1(=O)NN=CC(Cl)=C1Cl |
| CAS Datenbank | 932-22-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (85.4%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (85.4%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29349990 |
| RTECS-Nr. | UR6182000 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTAcute Tox. 4 Oral |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4,5-Dichloro-3(2H)-pyridazinone is used as a new labelled substituted pyridazinone with tuberculostatic action.