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3,5-Dimethoxybenzyl Bromide
1-(Bromomethyl)-3,5-dimethoxybenzene · 3,5-DIMETHOXYBENZYLBROMID · 3,5-Dimethoxybenzyl bromide · α-BroMo-3,5-diMethoxytoluene · 3,5-DimethoxybenzylBromide>3,5-Dimethoxybenzyl bromide, 98% · 3,5-Dimethoxybenzyl bromide 95+% · ALPHA-BROMO-3,5-DIMETHOXYTOLUENE · 3,5-Dimethoxybenzylamine Bromide
Identifikatoren & physikalische Daten
| CAS No. | 877-88-3 |
|---|---|
| Summenformel | C9H11BrO2 |
| Durchschnittliche Molmasse | 231,09 g/mol |
| Monoisotopische Masse | 229,99424169 g/mol |
| SMILES | COc1cc(CBr)cc(OC)c1 |
| InChIKey | BTHIGJGJAPYFSJ-UHFFFAOYSA-N |
| PubChem CID | 1274490 |
| EC No. | 618-071-7 |
| DTXSID | DTXSID20361564 |
Chemische & physikalische Eigenschaften
| XLogP | 2,4 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 118 |
| Schmelzpunkt | 69-70 °C (lit.) |
| Siedepunkt | 292.1±25.0 °C(Predicted) |
| Dichte | 1.384±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to brown |
| InChI | InChI=1S/C9H11BrO2/c1-11-8-3-7(6-10)4-9(5-8)12-2/h3-5H,6H2,1-2H3 |
| InChIKey | BTHIGJGJAPYFSJ-UHFFFAOYSA-N |
| SMILES | C1(CBr)=CC(OC)=CC(OC)=C1 |
| CAS Datenbank | 877-88-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 2 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 | 29093090 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-36/37/39-45 |
| Gefahrenklasse | 8Eye Dam. 1Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
3,5-DIMETHOXYBENZYL BROMIDE is used in dimethoxybenzene alkyl addition.