HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
7H-Purine, 6-chloro-7-methyl-
NSC 15192 · 7-METHYL-6-CHLOROPURINE · 6-CHLORO-7-METHYLPURINE · 6-Chloro-7-methyl-7H-purine · 7H-Purine, 6-chloro-7-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 5440-17-5 |
|---|---|
| Summenformel | C6H5ClN4 |
| Durchschnittliche Molmasse | 168,58 g/mol |
| Monoisotopische Masse | 168,0202739 g/mol |
| SMILES | Cn1cnc2ncnc(Cl)c21 |
| InChIKey | NCZREVPKGQGLFM-UHFFFAOYSA-N |
| PubChem CID | 95057 |
| ChEMBL | CHEMBL2068772 |
| EC No. | 695-391-3 |
| DTXSID | DTXSID40202788 |
Chemische & physikalische Eigenschaften
| XLogP | 1 |
|---|---|
| Polarare Oberfläche (TPSA) | 43,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 154 |
| LogP (Verteilungskoeffizient) | 0.03 |
| Schmelzpunkt | 175-185°C |
| Siedepunkt | 321.7±45.0 °C(Predicted) |
| Dichte | 1.59±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform (Slightly), Dichloromethane (Slightly), DMSO (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 0.65±0.30(Predicted) |
| Farbe | Light Green to Grey-Blue |
| CAS Datenbank | 5440-17-5 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, 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 2 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 (100%) |
| Zollcode | 2933998090 |
Anwendungen & Verwendung
Verwenden
6-CHLORO-7-METHYLPURINE is a useful synthetic intermediate.