HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Chloro-2-methylquinazoline
4-chloro-2-methylquinazoline · Quinazoline, 4-chloro-2-Methyl- · 4-Chloro-2-methylquinazoline?New
Identifikatoren & physikalische Daten
| CAS No. | 6484-24-8 |
|---|---|
| Summenformel | C9H7ClN2 |
| Durchschnittliche Molmasse | 178,62 g/mol |
| Monoisotopische Masse | 178,0297759 g/mol |
| SMILES | Cc1nc(Cl)c2ccccc2n1 |
| InChIKey | HAAZMOAXEMIBAJ-UHFFFAOYSA-N |
| PubChem CID | 2785421 |
| DTXSID | DTXSID70382906 |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 25,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 163 |
| Schmelzpunkt | 86-88 °C |
| Siedepunkt | 211.2±23.0 °C(Predicted) |
| Dichte | 1.292±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 1.28±0.30(Predicted) |
| InChI | InChI=1S/C9H7ClN2/c1-6-11-8-5-3-2-4-7(8)9(10)12-6/h2-5H,1H3 |
| InChIKey | HAAZMOAXEMIBAJ-UHFFFAOYSA-N |
| SMILES | N1=C2C(C=CC=C2)=C(Cl)N=C1C |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | WGK 3 |
|---|---|
| Zollcode | 2933599590 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Chloro-2-methylquinazoline is primarily used as a key intermediate in pharmaceutical research and chemical biology studies, particularly in the synthesis of novel drug molecules with biological activities such as anti-tumor and antibacterial effects.