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6-Brom-2,3-dihydro-1,4-benzodioxin
6-BROMO-2,3-DIHYDROBENZO[B][1,4]DIOXINE · 6-BROMO-2,3-DIHYDRO-1,4-BENZODIOXINE · 6-Bromo-2,3-dihydro-benzo[1,4]dioxine · BUTTPARK 95\50-63 · TIMTEC-BB SBB003399 · 6-Bromobenzodioxane · 6-Bromo-1,4-benzodioxan · 6-Bromo-1,4-benzodiaxane
Identifikatoren & physikalische Daten
| CAS No. | 52287-51-1 |
|---|---|
| Summenformel | C8H7BrO2 |
| Durchschnittliche Molmasse | 215,04 g/mol |
| Monoisotopische Masse | 213,96294156 g/mol |
| SMILES | Brc1ccc2c(c1)OCCO2 |
| InChIKey | LFCURAJBHDNUNG-UHFFFAOYSA-N |
| PubChem CID | 104141 |
| EC No. | 257-817-2 |
| DTXSID | DTXSID90200310 |
| Lokaler Name | 6-Brom-2,3-dihydro-1,4-benzodioxin |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 18,5 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 140 |
| Siedepunkt | 259-260 °C(lit.) |
| Dichte | 1.598 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.588(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Liquid |
| Wichte | 1.598 |
| Farbe | Colorless to pale yellow |
| BRN | 6223 |
| InChI | InChI=1S/C8H7BrO2/c9-6-1-2-7-8(5-6)11-4-3-10-7/h1-2,5H,3-4H2 |
| InChIKey | LFCURAJBHDNUNG-UHFFFAOYSA-N |
| SMILES | O1C2=CC=C(Br)C=C2OCC1 |
| CAS Datenbank | 52287-51-1(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (66.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, 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 | Acute Tox. 4 (66.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29329990 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36/37/39 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
6-Bromo-1,4-benzodioxane may be used as a starting reagent in the synthesis of chiral diphosphines (SYNPHOS and DIFLUORPHOS).