HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pyridazin
diazine · Pyridazin · PYRENE-1-CARBALDEHYDE · 1,2-DIAZINE · OIZINE · Orizine · o-diazine · yridazine
Identifikatoren & physikalische Daten
| CAS No. | 289-80-5 |
|---|---|
| Summenformel | C4H4N2 |
| Durchschnittliche Molmasse | 80,09 g/mol |
| Monoisotopische Masse | 80,03744813 g/mol |
| SMILES | c1ccnnc1 |
| InChIKey | PBMFSQRYOILNGV-UHFFFAOYSA-N |
| PubChem CID | 9259 |
| ChEMBL | CHEMBL15719 |
| ChEBI | CHEBI:30954 |
| EC No. | 206-025-5 |
| DTXSID | DTXSID7059777 |
| Lokaler Name | Pyridazin |
Chemische & physikalische Eigenschaften
| XLogP | -0,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 6 |
| Formalladung | 0 |
| Komplexität | 30,5 |
| SpringerMaterials Properties | Schoenflies notation |
| LogP (Verteilungskoeffizient) | -0.15 |
| Ionization Efficiency | Positive2.22.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Schmelzpunkt | -8 °C (lit.) |
| Siedepunkt | 208 °C (lit.) |
| Dichte | 1.103 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.524(lit.) |
| Flammpunkt | 185 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| pKa (Säurekonstante) | 2.24(at 20℃) |
| Aggregatzustand | Liquid |
| Farbe | Clear yellow-brown |
| Löslichkeit | MISCIBLE |
| Merck | 14,7969 |
| BRN | 103906 |
| InChI | 1S/C4H4N2/c1-2-4-6-5-3-1/h1-4H |
| InChIKey | PBMFSQRYOILNGV-UHFFFAOYSA-N |
| SMILES | c1ccnnc1 |
| CAS Datenbank | 289-80-5(CAS DataBase Reference) |
| NIST chemische Informationen | Pyridazine(289-80-5) |
| EPA chemische Informationen | Pyridazine (289-80-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (20%): 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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (20%) |
| F | 8-10 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | NA 1993 / PGIII |
| Zollcode | 29339980 |
| RTECS-Nr. | UR5267000 |
| R-Sätze (R) | 36/37/38-22 |
| Toxizität | LD50 ipr-mus: 2650 mg/kg PBPHAW 1,542,65 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 23-24/25 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Pyrrolo[1,2-b]pyridazine 1 is a N-bridgehead aromatic heterocycle containing two nitrogen atoms, is obtained by the condensation of pyridazine and pyrrole.
Herstellung & Synthese
synthetische
Pyridazine is obtained by the condensation of butenedial and hydrazine.