HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Pyrazincarbonitril
2-CYANOPYRAZINE · PYRAZINE-2-CARBONITRILE · CPZ · CYANOPYRAZINE · PYRAZINE-2,3-DIOL · NSC 166137 · 2-CYANOPYARINE · Pyrazinenitrile
Identifikatoren & physikalische Daten
| CAS No. | 19847-12-2 |
|---|---|
| Summenformel | C5H3N3 |
| Durchschnittliche Molmasse | 105,1 g/mol |
| Monoisotopische Masse | 105,0326971 g/mol |
| SMILES | N#Cc1cnccn1 |
| InChIKey | PMSVVUSIPKHUMT-UHFFFAOYSA-N |
| PubChem CID | 73172 |
| ChEMBL | CHEMBL4553837 |
| ChEBI | CHEBI:3982 |
| EC No. | 243-369-5 |
| DTXSID | DTXSID9066540 |
| Lokaler Name | Pyrazincarbonitril |
Chemische & physikalische Eigenschaften
| XLogP | 0 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,6 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 112 |
| SpringerMaterials Properties | 15N nuclear magnetic resonance spectrum |
| Schmelzpunkt | 18-20°C |
| Siedepunkt | 87 °C/6 mmHg (lit.) |
| Dichte | 1.174 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.534(lit.) |
| Flammpunkt | 206 °F |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Acetonitrile (Slightly), Chloroform (Slightly)Slightly soluble in water. |
| Aggregatzustand | Liquid |
| pKa (Säurekonstante) | -1.97±0.10(Predicted) |
| Farbe | Clear colorless to yellow |
| BRN | 110008 |
| InChI | 1S/C5H3N3/c6-3-5-4-7-1-2-8-5/h1-2,4H |
| InChIKey | PMSVVUSIPKHUMT-UHFFFAOYSA-N |
| SMILES | N#Cc1cnccn1 |
| LogP (Verteilungskoeffizient) | -0.010 |
| CAS Datenbank | 19847-12-2(CAS DataBase Reference) |
| NIST chemische Informationen | Cyanopyrazine(19847-12-2) |
| EPA chemische Informationen | 2-Cyanopyrazine (19847-12-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.9%): 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 49 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 2-Pyrazinecarbonitril: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Acute Tox. 4 (95.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 3276 |
| Zollcode | 29339990 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Pyrazinenitrile (Pyrazinamide EP Impurity) is used as a single-source precursor in the synthesis of metal-free nitrogen-doped carbon nanoparticles (NCNPs). Also, it is an important intermediate in the production of pyrazinamide as an effective anti-tubercular drug.