HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-chloro-9-methyl-9H-purine
6-CHLORO-9-METHYL-9H-PURINE · NSC 4948 · AKOS BBS-00003131 · IFLAB-BB F1371-0159 · OTAVA-BB BB7216640145 · 6-Chloro-9-methylpurine · 9-METHYL-6-CHLOROPURINE · 9H-Purine, 6-chloro-9-methyl-
Identifikatoren & physikalische Daten
| CAS No. | 2346-74-9 |
|---|---|
| Summenformel | C6H5ClN4 |
| Durchschnittliche Molmasse | 168,58 g/mol |
| Monoisotopische Masse | 168,02027384 g/mol |
| SMILES | Cn1cnc2c(Cl)ncnc21 |
| InChIKey | UEZNSCCMEMUEMO-UHFFFAOYSA-N |
| PubChem CID | 94844 |
| ChEMBL | CHEMBL2068774 |
| EC No. | 822-388-8 |
| DTXSID | DTXSID60178012 |
Chemische & physikalische Eigenschaften
| XLogP | 1,3 |
|---|---|
| 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) | 0.38 |
| Schmelzpunkt | 129-134oC |
| Siedepunkt | 321.7±45.0 °C(Predicted) |
| Dichte | 1.59±0.1 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 1.26±0.10(Predicted) |
| Farbe | Off-White |
| CAS Datenbank | 2346-74-9(CAS DataBase Reference) |
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)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
6-CHLORO-9-METHYLPURINE is a useful synthetic intermediate