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1,4-Dichlorphthalazin
Dichlorophthalazine · 1,4-Dichlorophtalazine · 1,4-Dichloro-2,3-benzodiazine · 1,4-Dichloropyrazine · 1,4-DICHLOROPHALAZINE · 1,4-DICHLOROPHTHALAZINE · Phthalazine, 1,4-dichloro- · 1,4-Dichlorophthalazine>1,4-Dichlorophthalazine,98%
Identifikatoren & physikalische Daten
| CAS No. | 4752-10-7 |
|---|---|
| Summenformel | C8H4Cl2N2 |
| Durchschnittliche Molmasse | 199,03 g/mol |
| Monoisotopische Masse | 197,97515349 g/mol |
| SMILES | Clc1nnc(Cl)c2ccccc12 |
| InChIKey | ODCNAEMHGMYADO-UHFFFAOYSA-N |
| PubChem CID | 78490 |
| ChEMBL | CHEMBL3185198 |
| EC No. | 225-275-6 |
| DTXSID | DTXSID1049306 |
| Lokaler Name | 1,4-Dichlorphthalazin |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 147 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 160-162 °C (lit.) |
| Siedepunkt | 397.3±22.0 °C(Predicted) |
| Dichte | 1.486±0.06 g/cm3(Predicted) |
| Lagerbedingungen | -20°C |
| Löslichkeit | Chloroform, MethanolSparingly soluble in water.(0.26 g/L) (25°C), |
| pKa (Säurekonstante) | -0.44±0.30(Predicted) |
| Aggregatzustand | Powder or Crystalline Powder |
| Farbe | White to yellow |
| InChI | InChI=1S/C8H4Cl2N2/c9-7-5-3-1-2-4-6(5)8(10)12-11-7/h1-4H |
| InChIKey | ODCNAEMHGMYADO-UHFFFAOYSA-N |
| SMILES | C1(Cl)C2=C(C=CC=C2)C(Cl)=NN=1 |
| CAS Datenbank | 4752-10-7(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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
1,4-Dichlorophthalazine Oftens used building block in medicinal chemistry synthesis.1,2