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Methyl-1-hydroxy-2-naphthoat
AON METHYL ESTER · RARECHEM AL BF 0359 · Methyl 1-hydroxy-2-naphthoate · Methyl 1-hydroxy-2-naphthoate 98% · 1-HYDROXY-2-NAPTHOIC ACID METHYL ESTER · 1-HYDROXY-2-NAPHTHOIC ACID METHYL ESTER · methyl 1-hydroxynaphthalene-2-carboxylate · 1-hydroxy-2-naphthalenecarboxylicacimethylester
Identifikatoren & physikalische Daten
| CAS No. | 948-03-8 |
|---|---|
| Summenformel | C12H10O3 |
| Durchschnittliche Molmasse | 202,21 g/mol |
| Monoisotopische Masse | 202,06299418 g/mol |
| SMILES | COC(=O)c1ccc2ccccc2c1O |
| InChIKey | HMIBDRSTVGFJPB-UHFFFAOYSA-N |
| PubChem CID | 70358 |
| EC No. | 213-434-2 |
| DTXSID | DTXSID8061341 |
| Lokaler Name | Methyl-1-hydroxy-2-naphthoat |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 46,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 239 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 76-80 °C (lit.) |
| Siedepunkt | 330.5±15.0 °C(Predicted) |
| Dichte | 1.264±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C, stored under nitrogen |
| pKa (Säurekonstante) | 8.09±0.50(Predicted) |
| InChI | InChI=1S/C12H10O3/c1-15-12(14)10-7-6-8-4-2-3-5-9(8)11(10)13/h2-7,13H,1H3 |
| InChIKey | HMIBDRSTVGFJPB-UHFFFAOYSA-N |
| SMILES | C1(O)=C2C(C=CC=C2)=CC=C1C(OC)=O |
| EPA chemische Informationen | 2-Naphthalenecarboxylic acid, 1-hydroxy-, methyl ester (948-03-8) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 2918290090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Methyl 1-hydroxy-2-naphthoate may be used as a starting reagent for the synthesis of axially chiral benzimidazole derivatives.It may also be employed in the synthesis of the following aza-mollugin derivatives: azamollugin2-desmethyl-azamollugin 2,2-didesmethyl-azamollugin