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Brommethyl-3-methoxyphenylketon
2-BROMO-1-(3-METHOXYPHENYL)ETHANONE · NSC 405833 · AKOS BBS-00003869 · 3'-MethoxyphenacyL · 3-(BROMOACETYL)ANISOLE · M-METHOXYPHENACYL BROMIDE · 3-METHOXYPHENACYL BROMIDE · m-Mehtoxyphenacyl Bromide
Identifikatoren & physikalische Daten
| CAS No. | 5000-65-7 |
|---|---|
| Summenformel | C9H9BrO2 |
| Durchschnittliche Molmasse | 229,07 g/mol |
| Monoisotopische Masse | 227,97859163 g/mol |
| SMILES | COc1cccc(C(=O)CBr)c1 |
| InChIKey | IOOHBIFQNQQUFI-UHFFFAOYSA-N |
| PubChem CID | 101294 |
| EC No. | 225-666-1 |
| DTXSID | DTXSID60198179 |
| Lokaler Name | Brommethyl-3-methoxyphenylketon |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 159 |
| Schmelzpunkt | 60-62 °C(lit.) |
| Siedepunkt | 215.8°C (rough estimate) |
| Dichte | 1.4921 (rough estimate) |
| Brechungsindex | 1.5500 (estimate) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to slightly yellow-green |
| BRN | 510128 |
| InChI | InChI=1S/C9H9BrO2/c1-12-8-4-2-3-7(5-8)9(11)6-10/h2-5H,6H2,1H3 |
| InChIKey | IOOHBIFQNQQUFI-UHFFFAOYSA-N |
| SMILES | C(=O)(C1=CC=CC(OC)=C1)CBr |
| CAS Datenbank | 5000-65-7(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Bromo-3'-methoxyacetophenone(5000-65-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P319, P321, P337+P317, P363, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 8 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29147000 |
| R-Sätze (R) | 34-36/37-22 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45-34 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1BSTOT SE 3 |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
Derivatizing reagent.
Herstellung & Synthese
synthetische
Obtained by reaction of bromine with 3-methoxyacetophenone in chloroform at 0° for 3 h (88%).