HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Bromo-1,3-dimethoxybenzene
2-BROMO-1,3-DIMETHOXY-BENZENE · 2-Bromo-3-methoxyanisole · 1-Bromo-2,6-dimethoxybenzene · 1,3-Dimethoxy-2-bromobenzene · Benzene, 2-bromo-1,3-dimethoxy- · 2-Bromo-1,3-dimethoxybenzene >2-Bromo-3-methoxyanisole
Identifikatoren & physikalische Daten
| CAS No. | 16932-45-9 |
|---|---|
| Summenformel | C8H9BrO2 |
| Durchschnittliche Molmasse | 217,06 g/mol |
| Monoisotopische Masse | 215,97859163 g/mol |
| SMILES | COc1cccc(OC)c1Br |
| InChIKey | VHVYSMMZHORFKU-UHFFFAOYSA-N |
| PubChem CID | 612296 |
| EC No. | 679-556-7 |
| DTXSID | DTXSID00346455 |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 107 |
| Schmelzpunkt | 91-94°C |
| Siedepunkt | 250℃ |
| Dichte | 1.412 |
| Flammpunkt | 106℃ |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Orange to Green |
| Löslichkeit | Insoluble in water. |
| InChI | InChI=1S/C8H9BrO2/c1-10-6-4-3-5-7(11-2)8(6)9/h3-5H,1-2H3 |
| InChIKey | VHVYSMMZHORFKU-UHFFFAOYSA-N |
| SMILES | C1(OC)=CC=CC(OC)=C1Br |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (88.9%): Harmful if swallowed [Warning Acute toxicity, oral]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)Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (88.9%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2909.30.6000 |
| R-Sätze (R) | 22 |
| Gefahrensymbole | Xn |
| Lagerklasse | 13 - Non Combustible Solids |
| Gefahrenklasse | Acute Tox. 4 Oral |
Anwendungen & Verwendung
Verwenden
2-Bromo-1,3-dimethoxybenzene is used as a pharmaceutical intermediate.