HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Phenoxyanilin
Phenoxyaniline · 2-Ade · NSC 39655 · AKOS B020146 · 2-PhenoxyaniL · AURORA KA-7802 · 2-phenoxy-anilin · O-PHENOXYANILINE
Identifikatoren & physikalische Daten
| CAS No. | 2688-84-8 |
|---|---|
| Summenformel | C12H11NO |
| Durchschnittliche Molmasse | 185,22 g/mol |
| Monoisotopische Masse | 185,08406397 g/mol |
| SMILES | Nc1ccccc1Oc1ccccc1 |
| InChIKey | NMFFUUFPJJOWHK-UHFFFAOYSA-N |
| PubChem CID | 75899 |
| ChEMBL | CHEMBL568768 |
| EC No. | 220-254-8 |
| DTXSID | DTXSID6062593 |
| Lokaler Name | 2-Phenoxyanilin |
Chemische & physikalische Eigenschaften
| XLogP | 2,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 166 |
| Schmelzpunkt | 47-49 °C(lit.) |
| Siedepunkt | 170 °C18 mm Hg(lit.) |
| Dichte | 1.0936 (rough estimate) |
| Brechungsindex | 1.5300 (estimate) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Slightly soluble in chloroform and methanol. |
| pKa (Säurekonstante) | 3.78±0.10(Predicted) |
| Aggregatzustand | Crystalline Powder or Flakes |
| Farbe | Brown to gray |
| BRN | 777766 |
| Stabilität | Hygroscopic |
| InChI | 1S/C12H11NO/c13-11-8-4-5-9-12(11)14-10-6-2-1-3-7-10/h1-9H,13H2 |
| InChIKey | NMFFUUFPJJOWHK-UHFFFAOYSA-N |
| SMILES | Nc1ccccc1Oc2ccccc2 |
| CAS Datenbank | 2688-84-8(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Aminodiphenyl ether(2688-84-8) |
| EPA chemische Informationen | o-Phenoxyaniline (2688-84-8) |
Sicherheit & Vorschriften
| Wassergefährdungsklasse (WGK) | 3 |
|---|---|
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | 2811 |
| Zollcode | 29222990 |
| RTECS-Nr. | BY7940000 |
| R-Sätze (R) | 20/21/22-36/37/38-22 |
| Toxizität | LD50 ivn-mus: 212 mg/kg TXCYAC 8,347,77 |
| Gefahrensymbole | Xn,Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-37/39-36/37/39-36 |
| 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
2-Phenoxyaniline serves as an antiinflammatory agent that inhibits preferentially COX-2 over COX-1. It is used in the preparation of sodium primary amide complex, 4-methyl-2-(2-phenoxyphenyl)azo-phenol and 2-acetoaminodiphenyl ether. Further, it is used to form complexes with beta-cyclodextrin.