HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Biphenylacetonitrile
2-([1,1'-biphenyl]-4-yl)acetonitrile · AKOS BAR-0894 · TIMTEC-BB SBB005894 · biphenylacetonitrile · 4-Biphenylacetonitri · 4-CYANOMETHYLDIPHENYL · p-Biphenylacetonitrile · 4-PHENYLBENZYL CYANIDE
Identifikatoren & physikalische Daten
| CAS No. | 31603-77-7 |
|---|---|
| Summenformel | C14H11N |
| Durchschnittliche Molmasse | 193,24 g/mol |
| Monoisotopische Masse | 193,08914935 g/mol |
| SMILES | N#CCc1ccc(-c2ccccc2)cc1 |
| InChIKey | HSZCNGTZJWZAMF-UHFFFAOYSA-N |
| PubChem CID | 35856 |
| EC No. | 622-759-2 |
| DTXSID | DTXSID50185492 |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 223 |
| Schmelzpunkt | 88-92 °C (lit.) |
| Siedepunkt | 146-150°C 0,03mm |
| Dichte | 1.068±0.06 g/cm3(Predicted) |
| Flammpunkt | 146-150°C/0.03m |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Methanol (Slightly) |
| Aggregatzustand | Solid |
| Farbe | Grey Pink |
| BRN | 1867255 |
| InChI | 1S/C14H11N/c15-11-10-12-6-8-14(9-7-12)13-4-2-1-3-5-13/h1-9H,10H2 |
| InChIKey | HSZCNGTZJWZAMF-UHFFFAOYSA-N |
| SMILES | N#CCc1ccc(cc1)-c2ccccc2 |
| CAS Datenbank | 31603-77-7(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (14.9%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (14.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 3276 |
| Zollcode | 29269090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Biphenylacetonitrile was used to study the adsorption orientation of the biphenyl derivatives on the Au colloidal surfaces with α-cyclodextrins.