HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1H-Pyrazole-4-carbonitrile
1H-Pyrazole-4-carbonitrile · SW-47 · SWF-47 · 4-Cyanopyrazole · 4-Cyano-1H-pyrazole · 4-CYANOPYRAZOLE 97% · 4-Pyrazolecarbonitrile · Pyrazole-4-carbonitrile
Identifikatoren & physikalische Daten
| CAS No. | 31108-57-3 |
|---|---|
| Summenformel | C4H3N3 |
| Durchschnittliche Molmasse | 93,09 g/mol |
| Monoisotopische Masse | 93,03269711 g/mol |
| SMILES | N#Cc1cn[nH]c1 |
| InChIKey | NUGZBVBZIDWZAD-UHFFFAOYSA-N |
| PubChem CID | 564449 |
| ChEMBL | CHEMBL5401004 |
| EC No. | 803-601-3 |
| DTXSID | DTXSID90340402 |
Chemische & physikalische Eigenschaften
| XLogP | 0,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 52,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 101 |
| Schmelzpunkt | 190-192°C |
| Siedepunkt | 317.4±15.0 °C(Predicted) |
| Dichte | 1.28±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly) |
| pKa (Säurekonstante) | 10.30±0.50(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White |
| InChI | InChI=1S/C4H3N3/c5-1-4-2-6-7-3-4/h2-3H,(H,6,7) |
| InChIKey | NUGZBVBZIDWZAD-UHFFFAOYSA-N |
| SMILES | N1C=C(C#N)C=N1 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2933199090 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
Anwendungen & Verwendung
Verwenden
4-Cyanopyrazole is used to catalyze epoxidation of ethene by hydrogen peroixde.