HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(4-Hydroxy-3-phenylbenzoyl)benzoic acid
Fedizoic Acid · Fendizoleacid · Fendizoic acid · LEVOCLOPERASTINE IMPURITY · C20H14O4 Fendizoic acid 84627-04-3 · Levocloperastine Fendizoic Acid Impurity · Levocloperastine IMpurity-Fendizoic Acid · 2-(4-hydroxy-3-phenylbenzoyl)benzoic acid
Identifikatoren & physikalische Daten
| CAS No. | 84627-04-3 |
|---|---|
| Summenformel | C20H14O4 |
| Durchschnittliche Molmasse | 318,3 g/mol |
| Monoisotopische Masse | 318,08920893 g/mol |
| SMILES | O=C(O)c1ccccc1C(=O)c1ccc(O)c(-c2ccccc2)c1 |
| InChIKey | PKHPZNKXOBWFCX-UHFFFAOYSA-N |
| PubChem CID | 163447 |
| ChEMBL | CHEMBL2104248 |
| EC No. | 617-597-4 |
| DTXSID | DTXSID20276528 |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 74,6 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 455 |
| Schmelzpunkt | 262-264 °C |
| Siedepunkt | 593.9±50.0 °C(Predicted) |
| Dichte | 1.305 |
| Lagerbedingungen | -20°C Freezer, Under inert atmosphere |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated) |
| pKa (Säurekonstante) | 3.28±0.36(Predicted) |
| Aggregatzustand | Solid |
| Farbe | White to Pale Yellow |
| InChI | InChI=1S/C20H14O4/c21-18-11-10-14(12-17(18)13-6-2-1-3-7-13)19(22)15-8-4-5-9-16(15)20(23)24/h1-12,21H,(H,23,24) |
| InChIKey | PKHPZNKXOBWFCX-UHFFFAOYSA-N |
| SMILES | C(O)(=O)C1=CC=CC=C1C(C1C=CC(O)=C(C2=CC=CC=C2)C=1)=O |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P264+P265, P270, P273, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: 2-(4-hydroxy-3-phenylbenzoyl)benzoic acid (EC: 617-597-4) |
| Hazard Classes and Categories | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
Fendizoic Acid is a reagent in the synthesis of fluorinated polyphthalazinone ethers containing perfluorophenylene moieties.