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4-Methoxy-1-naphthol
4-METHOXYNAPHTHALEN-1-OL · C.I.76620 · walrycin A · 4-Methoxy-1-naphthol · 4-Methoxy-1-naphthol>4-methoxy-1-naphthaleno · Ursol Grounding Blue BL · 4-Methoxy-1-naphthalenol · 4-Methoxy-1-naphthol 98%
Identifikatoren & physikalische Daten
| CAS No. | 84-85-5 |
|---|---|
| Summenformel | C11H10O2 |
| Durchschnittliche Molmasse | 174,2 g/mol |
| Monoisotopische Masse | 174,06807956 g/mol |
| SMILES | COc1ccc(O)c2ccccc12 |
| InChIKey | BOTGCZBEERTTDQ-UHFFFAOYSA-N |
| PubChem CID | 66542 |
| ChEBI | CHEBI:191503 |
| EC No. | 201-566-3 |
| DTXSID | DTXSID8058908 |
| Lokaler Name | 4-Methoxy-1-naphthol |
Chemische & physikalische Eigenschaften
| XLogP | 3,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 29,5 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 169 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 124 - 126 °C126-129 °C (lit.) |
| Physical Description | Solid |
| Siedepunkt | 265.17°C (rough estimate) |
| Dichte | 1.0844 (rough estimate) |
| Brechungsindex | 1.5250 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly)Soluble in water. |
| Aggregatzustand | Solid |
| pKa (Säurekonstante) | 10.24±0.40(Predicted) |
| Farbe | Pale Purple to Light Purple |
| BRN | 1818465 |
| InChI | InChI=1S/C11H10O2/c1-13-11-7-6-10(12)8-4-2-3-5-9(8)11/h2-7,12H,1H3 |
| InChIKey | BOTGCZBEERTTDQ-UHFFFAOYSA-N |
| SMILES | C1(O)=C2C(C=CC=C2)=C(OC)C=C1 |
| CAS Datenbank | 84-85-5(CAS DataBase Reference) |
| EPA chemische Informationen | 1-Naphthalenol, 4-methoxy- (84-85-5) |
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 44 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 | 29095000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
4-Methoxy-1-naphthol was used in the synthesis of 3-(4-hydroxy-1-naphthoxy)lactic acid (4-HO-NLA).