HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
6-Brom-2-naphthylmethylether
BMN · Naphthalene, 2-bromo-6-methoxy- · NSC 3236 · UNII-4ZE7DBE752 · O-Bromo Naproxen · 6-BROMO YARA YARA · Naproxen Impurity N · 2-Bromo-6-methoxynap
Identifikatoren & physikalische Daten
| CAS No. | 5111-65-9 |
|---|---|
| Summenformel | C11H9BrO |
| Durchschnittliche Molmasse | 237,09 g/mol |
| Monoisotopische Masse | 235,98367701 g/mol |
| SMILES | COc1ccc2cc(Br)ccc2c1 |
| InChIKey | AYFJBMBVXWNYLT-UHFFFAOYSA-N |
| PubChem CID | 78786 |
| EC No. | 225-837-0 |
| DTXSID | DTXSID10199116 |
| Lokaler Name | 6-Brom-2-naphthylmethylether |
Chemische & physikalische Eigenschaften
| XLogP | 4,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 9,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 171 |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Schmelzpunkt | 106-109 °C (lit.) |
| Siedepunkt | 160-164°C 3mm |
| Dichte | 1.4105 (rough estimate) |
| Brechungsindex | 1.5290 (estimate) |
| Flammpunkt | 160-164°C/3mm |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Löslichkeit | DMSO (Slightly), Methanol (Slightly, Heated)Soluble in DMSO. Insoluble in water. |
| Aggregatzustand | Powder |
| Farbe | White to light beige |
| BRN | 2043874 |
| InChI | 1S/C11H9BrO/c1-13-11-5-3-8-6-10(12)4-2-9(8)7-11/h2-7H,1H3 |
| InChIKey | AYFJBMBVXWNYLT-UHFFFAOYSA-N |
| SMILES | COc1ccc2cc(Br)ccc2c1 |
| CAS Datenbank | 5111-65-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (95.7%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P301+P317, P330, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 46 reports by companies from 6 notifications to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (95.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29093090 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
2-Bromo-6-methoxynaphthalene is used in the synthesis of nabumetone [4-(6-methoxy-2-naphthalenyl)-2-butanone] by Heck reaction.