HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Benzoylbenzonitril
4-BENZOYLBENZONITRILE · 4-Cyano-benzophenon · P-CYANOBENZOPHENONE · 4-CYANOBENZOPHENONE · 4-Cyanobenzophenone,98% · Benzonitrile, 4-benzoyl- · 4-benzeneformylbenzenitrile · benzophenone-4-carbonitrile
Identifikatoren & physikalische Daten
| CAS No. | 1503-49-7 |
|---|---|
| Summenformel | C14H9NO |
| Durchschnittliche Molmasse | 207,23 g/mol |
| Monoisotopische Masse | 207,06841391 g/mol |
| SMILES | N#Cc1ccc(C(=O)c2ccccc2)cc1 |
| InChIKey | YSZWJJANSNFQMM-UHFFFAOYSA-N |
| PubChem CID | 73921 |
| EC No. | 216-126-6 |
| DTXSID | DTXSID40164514 |
| Lokaler Name | 4-Benzoylbenzonitril |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 40,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 287 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 110-114 °C(lit.) |
| Siedepunkt | 346.25°C (rough estimate) |
| Dichte | 1.1259 (rough estimate) |
| Brechungsindex | 1.4700 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | solid |
| Farbe | White |
| Löslichkeit | Insoluble in water. |
| BRN | 641181 |
| InChI | InChI=1S/C14H9NO/c15-10-11-6-8-13(9-7-11)14(16)12-4-2-1-3-5-12/h1-9H |
| InChIKey | YSZWJJANSNFQMM-UHFFFAOYSA-N |
| SMILES | C(#N)C1=CC=C(C(=O)C2=CC=CC=C2)C=C1 |
| CAS Datenbank | 1503-49-7(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 43 reports by companies from 3 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 | 29269095 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 26-36 |
| 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
Substituted benzophenonesare used to determine the quantum yields for norbornadiene(N)quadricyclane(Q) and QN isomerization. It is employed as a triplet sensitizers.