HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid
Einecs 264-433-9 · 3-(2-Chloro-4-trifluoromethylphenoxy)benzoic acid · 3-[2-chloro-4-(trifluoromethyl)phenoxy]-benzoicaci · 3-(2-chloro-4-(trifluoromethyl)phenoxy)-benzoicaci · benzoicacid,3-(2-chloro-4-(trifluoromethyl)phenoxy)-
![Molekülstruktur von 3-[2-Chloro-4-(trifluoromethyl)phenoxy]benzoic acid](/img/chemical/91685.png)
Identifikatoren & physikalische Daten
| CAS No. | 63734-62-3 |
|---|---|
| Summenformel | C14H8ClF3O3 |
| Durchschnittliche Molmasse | 316,66 g/mol |
| Monoisotopische Masse | 316,0114063 g/mol |
| SMILES | O=C(O)c1cccc(Oc2ccc(C(F)(F)F)cc2Cl)c1 |
| InChIKey | ONKRUAQFUNKYAX-UHFFFAOYSA-N |
| PubChem CID | 91685 |
| EC No. | 264-433-9 |
| DTXSID | DTXSID4028121 |
Chemische & physikalische Eigenschaften
| XLogP | 4,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 6 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 21 |
| Formalladung | 0 |
| Komplexität | 375 |
| Siedepunkt | 374.0±42.0 °C(Predicted) |
| Dichte | 1.4411 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| pKa (Säurekonstante) | 3.92±0.10(Predicted) |
| Henry-Konstante | 6.4×102 mol/(m3Pa) at 25℃, Zhang et al. (2010) |
| EPA chemische Informationen | Benzoic acid, 3-[2-chloro-4-(trifluoromethyl)phenoxy]- (63734-62-3) |
Sicherheit & Vorschriften
| TSCA-Inventar-Status | TSCA listed |
|---|
Anwendungen & Verwendung
Verwenden
3-(2-Chloro-4-(trifluoromethyl)phenoxy)benzoic acid can be used in the optimisation study of the aromatic nitration reaction process. Taking the nitration of 3-(2-Chloro-4-(trifluoromethyl)phenoxy)benzoic acid as an example, a continuous-flow mixed-acid aromatic nitration process was developed within a droplet-type microreactor. The effects of key operating parameters were systematically characterised. This process lays the foundation for subsequent production of acifluorfen.