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5-Brom-1,2,3-trimethoxybenzol
5-BROMO-1,2,3-TRIMETHOXYBENZENE · 3,4,5-Trimethoxybrombenzene · BROMOTRIMETHOXYBENZENE · 3,4,5-Trimethoxybromoben · 3,4,5-TRIMETHOXYBROMOBENZENE · 3,4,5-rimethoxyboromobenzene · 3,4,5-Trimethoxyphenyl bromide · 3,4,5-triemethoxyphenylbromide
Identifikatoren & physikalische Daten
| CAS No. | 2675-79-8 |
|---|---|
| Summenformel | C9H11BrO3 |
| Durchschnittliche Molmasse | 247,09 g/mol |
| Monoisotopische Masse | 245,98916 g/mol |
| SMILES | COc1cc(Br)cc(OC)c1OC |
| InChIKey | XAOOZMATJDXDQJ-UHFFFAOYSA-N |
| PubChem CID | 75885 |
| EC No. | 220-223-9 |
| DTXSID | DTXSID90181256 |
| Lokaler Name | 5-Brom-1,2,3-trimethoxybenzol |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 27,7 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 140 |
| Schmelzpunkt | 78-82 °C(lit.) |
| Siedepunkt | 273°C/747mmHg(lit.) |
| Dichte | 1.5463 (rough estimate) |
| Brechungsindex | 1.4730 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | powder to crystal |
| Farbe | White to Light yellow to Light orange |
| Löslichkeit | Insoluble in water. |
| InChI | InChI=1S/C9H11BrO3/c1-11-7-4-6(10)5-8(12-2)9(7)13-3/h4-5H,1-3H3 |
| InChIKey | XAOOZMATJDXDQJ-UHFFFAOYSA-N |
| SMILES | C1(OC)=CC(Br)=CC(OC)=C1OC |
| CAS Datenbank | 2675-79-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (13.3%): Causes skin irritation [Warning Skin corrosion/irritation]H317 (86.7%): May cause an allergic skin reaction [Warning Sensitization, Skin]H319 (13.3%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (11.1%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P272, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P333+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 45 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (13.3%)Skin Sens. 1 (86.7%)Eye Irrit. 2 (13.3%)STOT SE 3 (11.1%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 2909309090 |
| R-Sätze (R) | 43 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 22-36/37 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Skin Sens. 1 |
Anwendungen & Verwendung
Verwenden
5-Bromo-1,2,3-trimethoxybenzene is an important raw material and intermediate used in organic synthesis, pharmaceuticals, agrochemicals and dyestuff.