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Brommethyl-2,5-dimethoxyphenylketon
AKOS BBS-00003866 · 2-BROMO-2',5'-DIMETHOXYACETOPHENONE · ω-Bromo-2',5'-dimethoxyacetophenone · α-Bromo-2',5'-dimethoxyacetophenone · A-BROMO-2',5'-DIMETHOXYACETOPHENONE · 1,4-Dimethoxy-2-(bromoacetyl)benzene · omega-Bromo-2,5-dimethoxyacetophenone · bromomethyl 2,5-dimethoxyphenyl ketone
Identifikatoren & physikalische Daten
| CAS No. | 1204-21-3 |
|---|---|
| Summenformel | C10H11BrO3 |
| Durchschnittliche Molmasse | 259,1 g/mol |
| Monoisotopische Masse | 257,98915631 g/mol |
| SMILES | COc1ccc(OC)c(C(=O)CBr)c1 |
| InChIKey | RGQNFYVSEWDUEI-UHFFFAOYSA-N |
| PubChem CID | 70997 |
| EC No. | 214-873-2 |
| DTXSID | DTXSID9022152 |
| Lokaler Name | Brommethyl-2,5-dimethoxyphenylketon |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| Polarare Oberfläche (TPSA) | 35,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 196 |
| Schmelzpunkt | 83-85 °C(lit.) |
| Siedepunkt | 323.1±27.0 °C(Predicted) |
| Dichte | 1.5471 (rough estimate) |
| Brechungsindex | 1.4620 (estimate) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| InChI | 1S/C10H11BrO3/c1-13-7-3-4-10(14-2)8(5-7)9(12)6-11/h3-5H,6H2,1-2H3 |
| InChIKey | RGQNFYVSEWDUEI-UHFFFAOYSA-N |
| SMILES | COc1ccc(OC)c(c1)C(=O)CBr |
| CAS Datenbank | 1204-21-3(CAS DataBase Reference) |
| EPA chemische Informationen | 2-Bromo-2',5'-dimethoxyacetophenone (1204-21-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.6%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | REACH registered substance: Bromomethyl 2,5-dimethoxyphenyl ketone (EC: 214-873-2) |
| Hazard Classes and Categories | Skin Irrit. 2 (97.6%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2811 6.1/PG 3 |
| Zollcode | 29147000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-27-37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Aquatic Acute 1Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Herstellung & Synthese
synthetische
Obtained by bromination of 2,5-dimethoxyacetophenone using polymersupported pyridinium bromide perbromide in chloroform at r.t.