HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(3-(4-Methylbenzoyl)phenyl)propanoic acid
Ketoprofen EP IMP D · Ketoprofen IMpurity D · Ketolofen EP impurity D · Ketoprofen EP Impurity D · rac-4'-Methyl Ketoprofen · Ketoprofen Related CoMpound A · Ketoprofen USP Related Compound A · Ketoprofen Related CoMpound A (AS)
Identifikatoren & physikalische Daten
| CAS No. | 107257-20-5 |
|---|---|
| Summenformel | C17H16O3 |
| Durchschnittliche Molmasse | 268,31 g/mol |
| Monoisotopische Masse | 268,10994437 g/mol |
| SMILES | Cc1ccc(C(=O)c2cccc(C(C)C(=O)O)c2)cc1 |
| InChIKey | PXERNXYPPAUBJI-UHFFFAOYSA-N |
| PubChem CID | 577332 |
| EC No. | 641-461-3 |
Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 54,4 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 20 |
| Formalladung | 0 |
| Komplexität | 355 |
| Siedepunkt | 458.7±33.0 °C(Predicted) |
| Dichte | 1.174±0.06 g/cm3(Predicted) |
| Löslichkeit | Chloroform (Slightly), Dichloromethane (Slightly) |
| pKa (Säurekonstante) | 4.22±0.10(Predicted) |
| Aggregatzustand | Sticky Solid to Solid |
| Farbe | Off-White to Beige |
| InChI | InChI=1S/C17H16O3/c1-11-6-8-13(9-7-11)16(18)15-5-3-4-14(10-15)12(2)17(19)20/h3-10,12H,1-2H3,(H,19,20) |
| InChIKey | PXERNXYPPAUBJI-UHFFFAOYSA-N |
| SMILES | c1cc(C(=O)c2cc(C(C(O)=O)C)ccc2)ccc1C |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]P203, P264, P270, P280, P301+P316, P318, P321, P330, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Zollcode | 2918300000 |
Anwendungen & Verwendung
Verwenden
An impurity of Ketoprofen (K200800).