HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(2-Bromophenyl)ethan-1-ol
Benzylamine LR · (s)-(-)-2-bromo-α-methylbe · (S)-1-Phenyl-2-bromoethanol · (S)-1-(2-BroMohenyl)ethanol · (S)-1-(2-bromophenyl)ethane · (S)-1-(2-bromopheyl)ethanol · (S)-1-(o-Bromophenyl)ethanol · (1S)-1-Phenyl-2-bromoethanol
Identifikatoren & physikalische Daten
| CAS No. | 114446-55-8 |
|---|---|
| Summenformel | C8H9BrO |
| Durchschnittliche Molmasse | 201,06 g/mol |
| Monoisotopische Masse | 199,98367701 g/mol |
| SMILES | C[C@H](O)c1ccccc1Br |
| InChIKey | DZLZSFZSPIUINR-LURJTMIESA-N |
| PubChem CID | 6950331 |
| EC No. | 624-057-1 |
| DTXSID | DTXSID40921381 |
Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 20,2 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 10 |
| Formalladung | 0 |
| Komplexität | 105 |
| Schmelzpunkt | 56-58 °C(lit.) |
| Siedepunkt | 128 °C15 mm Hg(lit.) |
| Dichte | 1.3646 (rough estimate) |
| Brechungsindex | 1.5610 (estimate) |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | solid |
| pKa (Säurekonstante) | 14.01±0.20(Predicted) |
| InChI | 1S/C8H9BrO/c1-6(10)7-4-2-3-5-8(7)9/h2-6,10H,1H3/t6-/m0/s1 |
| InChIKey | DZLZSFZSPIUINR-LURJTMIESA-N |
| SMILES | C[C@H](O)c1ccccc1Br |
| CAS Datenbank | 114446-55-8 |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29062900 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-36/37/39 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
Used in the synthesis of chiral boronic acids, which serve as reagents for enantiomeric purity determination of diols by H-NMR.