HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Dihydroxy-4-bromphenylboran
4-bromophenylboric acid · 4-BROMOBENZENEBORONIC ACID · p-BBBA · NSC 25407 · AKOS BRN-0005 · RARECHEM AH PB 0075 · 4-Bromophenylboronic · p-bromophenylboricacid
Identifikatoren & physikalische Daten
| CAS No. | 5467-74-3 |
|---|---|
| Summenformel | C6H6BBrO2 |
| Durchschnittliche Molmasse | 200,83 g/mol |
| Monoisotopische Masse | 199,96442193 g/mol |
| SMILES | OB(O)c1ccc(Br)cc1 |
| InChIKey | QBLFZIBJXUQVRF-UHFFFAOYSA-N |
| PubChem CID | 79599 |
| ChEMBL | CHEMBL20866 |
| EC No. | 226-779-9 |
| DTXSID | DTXSID90203129 |
| Lokaler Name | Dihydroxy-4-bromphenylboran |
Chemische & physikalische Eigenschaften
| Polarare Oberfläche (TPSA) | 40,5 |
|---|---|
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 102 |
| Stoffklassen | Metals -> Metalloid Compounds (Boron) |
| Physical Description | Light brown crystalline solid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | 284-288 °C (lit.) |
| Siedepunkt | 315.0±44.0 °C(Predicted) |
| Dichte | 1.67±0.1 g/cm3(Predicted) |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| pKa (Säurekonstante) | 8.32±0.10(Predicted) |
| Farbe | Off-white to light beige |
| Löslichkeit | Soluble in methanol. Insoluble in water. |
| BRN | 2936347 |
| InChI | InChI=1S/C6H6BBrO2/c8-6-3-1-5(2-4-6)7(9)10/h1-4,9-10H |
| InChIKey | QBLFZIBJXUQVRF-UHFFFAOYSA-N |
| SMILES | B(C1=CC=C(Br)C=C1)(O)O |
| CAS Datenbank | 5467-74-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (98.2%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 56 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Boronic acid, (4-bromophenyl)-: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Intravenous LD50 (mouse) = 180 mg/kg[RTECS] A skin and strong eye irritant[Sigma-Aldrich MSDS] See Benzeneboronic acid. |
| Hazard Classes and Categories | Skin Irrit. 2 (98.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | T |
| Zollcode | 29319090 |
| RTECS-Nr. | CY8650000 |
| R-Sätze (R) | 36/37/38-22 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
suzuki reaction