HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Pyridylacetonitrile hydrochloride
4-PYRIDINEACETONITRILE HYDROCHLORIDE · 4-Pyridylacetonitril · 4-PyridineacetonitriL · pyridine-4-acetonitrile · 4-PyridineacetonitrileHCL · 4-PYRIDYLACETONITRILE HCL · Pyridine-4-acetonitrileHCl · Pyridin-4-yl-acetonitrile HCl
Identifikatoren & physikalische Daten
| CAS No. | 92333-25-0 |
|---|---|
| Summenformel | C7H7ClN2 |
| Durchschnittliche Molmasse | 154,6 g/mol |
| Monoisotopische Masse | 154,0297759 g/mol |
| SMILES | Cl.N#CCc1ccncc1 |
| InChIKey | UBYQSEXKPQZPCN-UHFFFAOYSA-N |
| PubChem CID | 12396608 |
| EC No. | 626-745-7 |
| DTXSID | DTXSID20496264 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 36,7 |
|---|---|
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 116 |
| Schmelzpunkt | 267 °C (dec.)(lit.) |
| Siedepunkt | 254.24°C (rough estimate) |
| Dichte | 1.2281 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | solid |
| InChI | 1S/C7H6N2.ClH/c8-4-1-7-2-5-9-6-3-7/h2-3,5-6H,1H2 |
| InChIKey | UBYQSEXKPQZPCN-UHFFFAOYSA-N |
| SMILES | Cl[H].N#CCc1ccncc1 |
| CAS Datenbank | 92333-25-0(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)Aggregated GHS information provided per 44 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2811 |
| Zollcode | 29333990 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Pyridylacetonitrile hydrochloride is a pyridine derivative used in the preparation of inhibitors of Acyl CoA: cholesterol acyltransferase as well as bone morphogenetic protein (BMP) signaling inhibitors.