HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chlor-2-phenylchinazolin
AM-ex-OL · AKOS 93518 · NSC 400965 · AM-EX-OL(R) · am-ex-ol tm · AM-ex-OL®4-Chloro-2-phenyl-quizoline · 2-Phenyl-4-chloroquinazoline · 4-Chloro-2-phenylquinazoline
Identifikatoren & physikalische Daten
| CAS No. | 6484-25-9 |
|---|---|
| Summenformel | C14H9ClN2 |
| Durchschnittliche Molmasse | 240,69 g/mol |
| Monoisotopische Masse | 240,04542597 g/mol |
| SMILES | Clc1nc(-c2ccccc2)nc2ccccc12 |
| InChIKey | OBHKONRNYCDRKM-UHFFFAOYSA-N |
| PubChem CID | 80977 |
| EC No. | 229-346-2 |
| DTXSID | DTXSID00215132 |
| Lokaler Name | 4-Chlor-2-phenylchinazolin |
Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 17 |
| Formalladung | 0 |
| Komplexität | 253 |
| LogP (Verteilungskoeffizient) | 4.47 |
| Schmelzpunkt | 124-126 °C(lit.) |
| Siedepunkt | 383.11°C (rough estimate) |
| Dichte | 1.285 |
| Brechungsindex | 1.5749 (estimate) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 0.67±0.30(Predicted) |
| Farbe | Slightly yellow to yellow |
| InChI | 1S/C14H9ClN2/c15-13-11-8-4-5-9-12(11)16-14(17-13)10-6-2-1-3-7-10/h1-9H |
| InChIKey | OBHKONRNYCDRKM-UHFFFAOYSA-N |
| SMILES | Clc1nc(nc2ccccc12)-c3ccccc3 |
| CAS Datenbank | 6484-25-9(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 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Quinazoline, 4-chloro-2-phenyl-: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29339980 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Chloro-2-phenylquinazoline can be involved in the synthesis of biologically active molecules including: Nitrotriazole amines or nitroimidazole amines for use as antitrypanosomal activity and mammalian cytotoxicity.