HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Phenoxybenzonitrile
SKL681 · 4-PHENOXYBENZONITRILE · 4-CYANODIPHENYL ETHER · p-Phenoxybenzonitrile · Benzonitrile,4-phenoxy- · 4-Phenoxybenzonitrile>4-Phenoxybenzonitrile98% · 4-PHENOXYBENZENECARBONITRILE · JR-8217, 4-Phenoxybenzonitrile, 97%
Identifikatoren & physikalische Daten
| CAS No. | 3096-81-9 |
|---|---|
| Summenformel | C13H9NO |
| Durchschnittliche Molmasse | 195,22 g/mol |
| Monoisotopische Masse | 195,06841391 g/mol |
| SMILES | N#Cc1ccc(Oc2ccccc2)cc1 |
| InChIKey | UYHCIOZMFCLUDP-UHFFFAOYSA-N |
| PubChem CID | 137821 |
| EC No. | 625-203-7 |
| DTXSID | DTXSID90184949 |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 33 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 228 |
| Schmelzpunkt | 42-46 °C(lit.) |
| Siedepunkt | 174 °C / 4mmHg |
| Dichte | 1.17±0.1 g/cm3(Predicted) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | clear liquid |
| Farbe | Colorless to Light yellow to Light orange |
| InChI | 1S/C13H9NO/c14-10-11-6-8-13(9-7-11)15-12-4-2-1-3-5-12/h1-9H |
| InChIKey | UYHCIOZMFCLUDP-UHFFFAOYSA-N |
| SMILES | N#Cc1ccc(Oc2ccccc2)cc1 |
| CAS Datenbank | 3096-81-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P270, P271, P280, P301+P317, P302+P352, P304+P340, P317, P321, P330, P362+P364, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 47 reports by companies from 5 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 | 3439 |
| Zollcode | 29269090 |
| R-Sätze (R) | 20/21/22 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 Oral |
| Verpackungsgruppe | III |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Phenoxybenzonitrile may be used to synthesize 5-(4-phenoxy)phenyltetrazole.