HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Methyl 4-(benzyloxy)-2-hydroxybenzoate
Methyl 4-(benzyloxy)-2-hydroxybenzoate · methyl 2-hydroxy-4-phenylmethoxy-benzoate · 2-Hydroxy-4-(phenylmethoxy)benzoic Acid Methyl Ester · JR-13546, Methyl 4-(benzyloxy)-2-hydroxybenzoate, 95% · Benzoic acid, 2-hydroxy-4-(phenylmethoxy)-, methyl ester · METHYL 2-HYDROXY-4-PHENYLMETHOXY-BENZOATEMETHYL 2-HYDROXY-4-PHENYLMETHOXY-BENZOATE
Identifikatoren & physikalische Daten
| CAS No. | 5427-29-2 |
|---|---|
| Summenformel | C15H14O4 |
| Durchschnittliche Molmasse | 258,27 g/mol |
| Monoisotopische Masse | 258,08920892 g/mol |
| SMILES | COC(=O)c1ccc(OCc2ccccc2)cc1O |
| InChIKey | PHYPTZODBQEMJU-UHFFFAOYSA-N |
| PubChem CID | 225489 |
| EC No. | 856-888-2 |
| DTXSID | DTXSID90279980 |
Chemische & physikalische Eigenschaften
| XLogP | 3,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 55,8 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 5 |
| Schwere Atome | 19 |
| Formalladung | 0 |
| Komplexität | 286 |
| Schmelzpunkt | 102-104 °C |
| Siedepunkt | 404.8±30.0 °C(Predicted) |
| Dichte | 1.227±0.06 g/cm3(Predicted) |
| Löslichkeit | ChloroformAcetone |
| pKa (Säurekonstante) | 9.38±0.10(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, 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. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (100%)Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Anwendungen & Verwendung
Verwenden
2-Hydroxy-4-(phenylmethoxy)benzoic Acid Methyl Ester is an intermediate used in the synthesis of 4-Hydroxy Flecainide (H942485), which is an analogue of Flecainide (F390000).