HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
p-Phenylbenzonitril
4-PHENYLBENZONITRILE · [1,1'-BIPHENYL]-4-CARBONITRILE · 4-CYANOBIPHENYL · 4-CYANODIPHENYL · p-Cyanobiphenyl · 4-Cyanobiphenly · 4-Biphenylnitrile · CYANOBIPHENYL, 4-
Identifikatoren & physikalische Daten
| CAS No. | 2920-38-9 |
|---|---|
| Summenformel | C13H9N |
| Durchschnittliche Molmasse | 179,22 g/mol |
| Monoisotopische Masse | 179,07349929 g/mol |
| SMILES | N#Cc1ccc(-c2ccccc2)cc1 |
| InChIKey | BPMBNLJJRKCCRT-UHFFFAOYSA-N |
| PubChem CID | 18021 |
| EC No. | 220-860-2 |
| DTXSID | DTXSID0062713 |
| Lokaler Name | p-Phenylbenzonitril |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 23,8 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 211 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 85-87 °C(lit.) |
| Siedepunkt | 193°C 20mm |
| Dichte | 1.1255 (rough estimate) |
| Dampfdruck | 0.013-0.03Pa at 25℃ |
| Brechungsindex | 1.7270 (estimate) |
| Flammpunkt | >110°(230°F) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow |
| Löslichkeit | limited soluble |
| BRN | 1907924 |
| InChI | 1S/C13H9N/c14-10-11-6-8-13(9-7-11)12-4-2-1-3-5-12/h1-9H |
| InChIKey | BPMBNLJJRKCCRT-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc(cc1)-c2ccccc2 |
| LogP (Verteilungskoeffizient) | 3.3-3.77 at 25℃ |
| CAS Datenbank | 2920-38-9(CAS DataBase Reference) |
| NIST chemische Informationen | 4-Biphenylcarbonitrile(2920-38-9) |
| EPA chemische Informationen | [1,1'-Biphenyl]-4-carbonitrile (2920-38-9) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (30.5%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P273, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, P391, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 154 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 05-06-2019 https://echa.europa.eu/registration-dossier/-/registered-dossier/20254 |
| Hazard Classes and Categories | Acute Tox. 4 (30.5%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3439 6.1/PG 3 |
| Zollcode | 29269090 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 36/37-36/37/39-26-22 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 6.1C - Combustible acute toxic Cat.3toxic compounds or compounds which causing chronic effects |
Anwendungen & Verwendung
Verwenden
Intermediates of Liquid Crystals