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6-Brom-3,4-dimethoxybenzaldehyd
2-BROMO-4,5-DIMETHOXYBENZALDEHYDE · AKOS B005109 · TIMTEC-BB SBB003186 · Bromoveratraldehyde · 6- bromoperaldehyde · 6-BROMOVEZATALDEHYDE · 6-BROMOVERATRALDEHYDE · 6-BROMOVERATRALDEHYDE 98%
Identifikatoren & physikalische Daten
| CAS No. | 5392-10-9 |
|---|---|
| Summenformel | C9H9BrO3 |
| Durchschnittliche Molmasse | 245,07 g/mol |
| Monoisotopische Masse | 243,97350625 g/mol |
| SMILES | COc1cc(Br)c(C=O)cc1OC |
| InChIKey | UQQROBHFUDBOOK-UHFFFAOYSA-N |
| PubChem CID | 79351 |
| ChEMBL | CHEMBL2181109 |
| EC No. | 226-390-4 |
| DTXSID | DTXSID60202200 |
| Lokaler Name | 6-Brom-3,4-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 | 150-151 °C (lit.) |
| Siedepunkt | 316.1±37.0 °C(Predicted) |
| Dichte | 1.5955 (rough estimate) |
| Brechungsindex | 1.4730 (estimate) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Yellow to Orange |
| Löslichkeit | Insoluble in water. |
| BRN | 2052355 |
| InChI | InChI=1S/C9H9BrO3/c1-12-8-3-6(5-11)7(10)4-9(8)13-2/h3-5H,1-2H3 |
| InChIKey | UQQROBHFUDBOOK-UHFFFAOYSA-N |
| SMILES | C(=O)C1=CC(OC)=C(OC)C=C1Br |
| CAS Datenbank | 5392-10-9(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH315 (66.7%): 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 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (66.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29124990 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
6-Bromoveratraldehyde was used in the preparation of benzylchromenylamines.