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3-Brom-4,5-dimethoxybenzaldehyd
3-BROMO-4,5-DIMETHOXYBENZALDEHYDE · AKOS B004803 · AURORA 10668 · ASISCHEM R40856 · AKOS BBS-00008218 · ZERENEX E/4048023 · OTAVA-BB BB7014713410 · 5-BROMOVERATRALDEHYDE
Identifikatoren & physikalische Daten
| CAS No. | 6948-30-7 |
|---|---|
| Summenformel | C9H9BrO3 |
| Durchschnittliche Molmasse | 245,07 g/mol |
| Monoisotopische Masse | 243,97350625 g/mol |
| SMILES | COc1cc(C=O)cc(Br)c1OC |
| InChIKey | ICVODPFGWCUVJC-UHFFFAOYSA-N |
| PubChem CID | 81379 |
| EC No. | 230-113-2 |
| DTXSID | DTXSID40219699 |
| Lokaler Name | 3-Brom-4,5-dimethoxybenzaldehyd |
Chemische & physikalische Eigenschaften
| XLogP | 2 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 174 |
| Endocrine Disruptors | Potential endocrine disrupting compound |
| Schmelzpunkt | 63-64 °C(lit.) |
| Siedepunkt | 313.8±37.0 °C(Predicted) |
| Dichte | 1.482±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | powder to crystal |
| Farbe | White to Orange to Green |
| InChI | 1S/C9H9BrO3/c1-12-8-4-6(5-11)3-7(10)9(8)13-2/h3-5H,1-2H3 |
| InChIKey | ICVODPFGWCUVJC-UHFFFAOYSA-N |
| SMILES | COc1cc(C=O)cc(Br)c1OC |
| CAS Datenbank | 6948-30-7(CAS DataBase Reference) |
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 5 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 |
| Zollcode | 29130000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-Bromoveratraldehyde (3-Bromo-4,5-dimethoxybenzaldehyde) was used to prepare 1-phenyl-2-(4-aryl-1,3,4,5-tetrahydropyrido[2,3-b][1,4]diazepin-2-ylidene)-ethanones.