HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
m-Phenoxybenzyl cyanide
2-(3-PHENOXYPHENYL)ACETONITRILE · Fenoprofen Impurity 2 · 3-phenoxybenzylcyanide · m-phenoxybenzylcyanide · m-Phenoxybenzyl cyanide · 3-Phenoxybenzyl cyanide · 3-Phenoxyphenylacetonitrile · 3-Phenoxybenzeneacetonitrile
Identifikatoren & physikalische Daten
| CAS No. | 51632-29-2 |
|---|---|
| Summenformel | C14H11NO |
| Durchschnittliche Molmasse | 209,24 g/mol |
| Monoisotopische Masse | 209,08406397 g/mol |
| SMILES | N#CCc1cccc(Oc2ccccc2)c1 |
| InChIKey | DKGMALJGFUHPGB-UHFFFAOYSA-N |
| PubChem CID | 40075 |
| EC No. | 622-931-7 |
| DTXSID | DTXSID20199581 |
Chemische & physikalische Eigenschaften
| XLogP | 3 |
|---|---|
| Polarare Oberfläche (TPSA) | 33 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 249 |
| Siedepunkt | 137 °C/0.3 mmHg (lit.) |
| Dichte | 1.124 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.578(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly) |
| Aggregatzustand | Oil |
| Farbe | Colourless |
| BRN | 2106883 |
| InChI | 1S/C14H11NO/c15-10-9-12-5-4-8-14(11-12)16-13-6-2-1-3-7-13/h1-8,11H,9H2 |
| InChIKey | DKGMALJGFUHPGB-UHFFFAOYSA-N |
| SMILES | N#CCc1cccc(Oc2ccccc2)c1 |
| CAS Datenbank | 51632-29-2(CAS DataBase Reference) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| TSCA-Inventar-Status | T |
| UN-Transportnummer | 3276 |
| Zollcode | 2926907090 |
| RTECS-Nr. | AM1370000 |
| R-Sätze (R) | 20/21/22-36/37/38 |
| Gefahrensymbole | Xn,Xi |
| Sicherheitshinweise (S) | 23-26-36 |
| Gefahrenklasse | 6.1Acute Tox. 4 DermalAcute Tox. 4 InhalationAcute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
3-Phenoxyphenylacetonitrile is a useful compound in the preparation of pyrimidine derivatives as inhibitors of N-acylphosphatidylethanolamine phospholipase D (NAPE-PLD).