HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Chinazolin
PHENMIAZINE · 1,3-BENZODIAZINE · 5,6-Benzopyrimidine · QUINAZOLINE · Quinazoline 99% · Benzopyrimidine · Quinazoline >Quinazoline ,98% · Benzo[d]pyrimidine
Identifikatoren & physikalische Daten
| CAS No. | 253-82-7 |
|---|---|
| Summenformel | C8H6N2 |
| Durchschnittliche Molmasse | 130,15 g/mol |
| Monoisotopische Masse | 130,05309819 g/mol |
| SMILES | c1ccc2ncncc2c1 |
| InChIKey | JWVCLYRUEFBMGU-UHFFFAOYSA-N |
| PubChem CID | 9210 |
| ChEMBL | CHEMBL301359 |
| ChEBI | CHEBI:36621 |
| EC No. | 205-965-3 |
| DTXSID | DTXSID7075214 |
| Lokaler Name | Chinazolin |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 114 |
| SpringerMaterials Properties | Angular frequency |
| Ionization Efficiency | Positive3.022.7Agilent XCTElectrospray ionizationformic acid (5.3nM) |
| Schmelzpunkt | 46-48 °C (lit.) |
| Siedepunkt | 243 °C (lit.) |
| Dichte | 1.2002 (rough estimate) |
| Brechungsindex | 1.6231 (estimate) |
| Flammpunkt | 224 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | H2O: freely solubleH2O: freely solubleorganic solvents: soluble |
| pKa (Säurekonstante) | 3.43(at 20℃) |
| Aggregatzustand | Crystalline Powder, Crystals and/or Chunks |
| Farbe | Yellow to beige to brownish |
| Merck | 14,8053 |
| BRN | 109370 |
| InChI | 1S/C8H6N2/c1-2-4-8-7(3-1)5-9-6-10-8/h1-6H |
| InChIKey | JWVCLYRUEFBMGU-UHFFFAOYSA-N |
| SMILES | c1ccc2ncncc2c1 |
| CAS Datenbank | 253-82-7(CAS DataBase Reference) |
| NIST chemische Informationen | Quinazoline(253-82-7) |
| EPA chemische Informationen | Quinazoline (253-82-7) |
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. |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 22-24/25-36-26-23 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
Quinazoline was used to study the electrochemical behaviour of quinazoline using modern polarographic and voltammetric methods. It is the basic structural unit of pharmaceuticals and plays an important role in modern synthesis of antitumor drugs.