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2-Bromo-1,3,2-benzodioxaborole
B-BROMOCATECHOLBORANE · 2-broMobenzo[d][1,3,2]dioxaborole · Catechol boron bromide · B-Bromocatecholborane>beta-Bromocatecholborane · o-Phenylene bromoboronate · 2-bromo-1,3,2-benzodioxaborale · 2-BROMO-1,3,2-BENZODIOXABOROLE · 1,3,2-Benzodioxaborole, 2-bromo-
Identifikatoren & physikalische Daten
| CAS No. | 51901-85-0 |
|---|---|
| Summenformel | C6H4BBrO2 |
| Durchschnittliche Molmasse | 198,81 g/mol |
| Monoisotopische Masse | 197,94877 g/mol |
| SMILES | BrB1Oc2ccccc2O1 |
| InChIKey | SAILTPCYIYNOEL-UHFFFAOYSA-N |
| PubChem CID | 3552384 |
| EC No. | 628-655-3 |
| DTXSID | DTXSID50393570 |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 18,5 |
|---|---|
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 119 |
| Schmelzpunkt | 51-53 °C(lit.) |
| Siedepunkt | 76 °C9 mm Hg(lit.) |
| Dichte | 1.67±0.1 g/cm3(Predicted) |
| Flammpunkt | 107 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | sol dichloromethane |
| Aggregatzustand | powder to lump |
| Farbe | White to Amber to Dark purple |
| BRN | 2445073 |
| InChI | 1S/C6H4BBrO2/c8-7-9-5-3-1-2-4-6(5)10-7/h1-4H |
| InChIKey | SAILTPCYIYNOEL-UHFFFAOYSA-N |
| SMILES | Brb1oc2ccccc2o1 |
| CAS Datenbank | 51901-85-0 |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH228 (100%): Flammable solid [Danger Flammable solids]P210, P240, P241, P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, 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 | Flam. Sol. 2 (100%) |
| F | 8-10-21 |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 2925 4.1/PG 2 |
| Zollcode | 2931.90.6000 |
| R-Sätze (R) | 14-34-37 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 4.1Flam. Sol. 1Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 4.1B - Flammable solid hazardous materials |
Anwendungen & Verwendung
Verwenden
B-Bromocatecholborane is a mild Lewis acid capable of selective cleavage of ether, ester and carbamate protecting groups; catalyst for Diels-Alder reactions.
Herstellung & Synthese
synthetische
B-Bromocatecholborane can be conveniently prepared by treating Catechol with Boron Tribromide. The reagent is isolated by distillation as a moisture-sensitive, low-melting solid.