HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-Phenylcyclobutancarbonitril
1-Phenylcyclobutane-1-carbonitrile · Cyclobutanecarbonitrile, 1-phenyl- · 1-PHENYLCYCLOBUTANECARBONITRILE · 1-Phenylcyclobutanecarbonitrile>1-Phenylcyclobutanecarbonitrile,95% · 1-PHENYLCYCLOBUTANECARBONITRILE 95% · 1-Phenylcyclobutanecarbonitrile, 95% 5GR · 1-Phenylcyclobutanecarbonitrile, 95% 25GR
Identifikatoren & physikalische Daten
| CAS No. | 14377-68-5 |
|---|---|
| Summenformel | C11H11N |
| Durchschnittliche Molmasse | 157,21 g/mol |
| Monoisotopische Masse | 157,08914935 g/mol |
| SMILES | N#CC1(c2ccccc2)CCC1 |
| InChIKey | DHIDUDPFTZJPCQ-UHFFFAOYSA-N |
| PubChem CID | 84400 |
| EC No. | 238-351-9 |
| DTXSID | DTXSID90162540 |
| Lokaler Name | 1-Phenylcyclobutancarbonitril |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 200 |
| Siedepunkt | 85°C/0.3mmHg(lit.) |
| Dichte | 1.03 |
| Brechungsindex | 1.5313-1.5333 |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Farbe | Clear light yellow |
| NIST chemische Informationen | Cyclobutanecarbonitrile, 1-phenyl-(14377-68-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302+H312+H332 (50%): Harmful if swallowed, in contact with skin or if inhaled [Warning Acute toxicity, oralacute toxicity, dermalacute toxicity, inhalation]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 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Zollcode | 29269095 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37/39-26 |
Anwendungen & Verwendung
Verwenden
1-Phenylcyclobutanecarbonitrile is used as a reactant in the preparation of a novel diacylglycerol acyltransferase-1 (DGAT-1) inhibitor.