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3-(difluoromethyl)-5H,6H,7H,8H-(1,2,4)triazolo(4,3-a)pyrazine
3-(Difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine · 1,2,4-Triazolo[4,3-a]pyrazine, 3-(difluoromethyl)-5,6,7,8-tetrahydro-
Identifikatoren & physikalische Daten
| CAS No. | 945262-35-1 |
|---|---|
| Summenformel | C6H8F2N4 |
| Durchschnittliche Molmasse | 174,15 g/mol |
| SMILES | FC(F)c1nnc2n1CCNC2 |
| InChIKey | OPBRLKOINULLLT-UHFFFAOYSA-N |
| PubChem CID | 62587166 |
| EC No. | 882-712-9 |
Chemische & physikalische Eigenschaften
| XLogP | -0,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 42,7 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 166 |
| Siedepunkt | 322.6±52.0 °C(Predicted) |
| Dichte | 1.69±0.1 g/cm3(Predicted) |
| pKa (Säurekonstante) | 6.51±0.20(Predicted) |
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, 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
3-(Difluoromethyl)-5H,6H,7H,8H-[1,2,4]triazolo[4,3-a]pyrazine is a useful building block for the preparation of biologically active small molecules.