HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
Benzylbromacetat
BENZYL BROMOACETATE · merbac35 · TIMTEC-BB SBB006752 · BENZYL 2-BROMOACETATE · Benzyl a-Bromoacetate · BroMine benzyl acetate · Benzylbromoacetate,97% · Benzyl broMoacetate 96%
Identifikatoren & physikalische Daten
| CAS No. | 5437-45-6 |
|---|---|
| Summenformel | C9H9BrO2 |
| Durchschnittliche Molmasse | 229,07 g/mol |
| Monoisotopische Masse | 227,97859 g/mol |
| SMILES | O=C(CBr)OCc1ccccc1 |
| InChIKey | JHVLLYQQQYIWKX-UHFFFAOYSA-N |
| PubChem CID | 62576 |
| ChEMBL | CHEMBL3184596 |
| EC No. | 226-611-4 |
| DTXSID | DTXSID4040343 |
| Lokaler Name | Benzylbromacetat |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 4 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 141 |
| Schmelzpunkt | 199-201 °C(Solv: water (7732-18-5)) |
| Siedepunkt | 166-170 °C22 mm Hg(lit.) |
| Dichte | 1.446 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.544(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Keep in dark place,Sealed in dry,Room Temperature |
| Löslichkeit | Chloroform, MethanolNot miscible or difficult to mix in water. |
| Aggregatzustand | Liquid |
| Wichte | 1.446 |
| Farbe | Clear colorless to light yellow |
| BRN | 973658 |
| InChI | 1S/C9H9BrO2/c10-6-9(11)12-7-8-4-2-1-3-5-8/h1-5H,6-7H2 |
| InChIKey | JHVLLYQQQYIWKX-UHFFFAOYSA-N |
| SMILES | BrCC(=O)OCc1ccccc1 |
| LogP (Verteilungskoeffizient) | 2.368 (est) |
| CAS Datenbank | 5437-45-6(CAS DataBase Reference) |
| NIST chemische Informationen | Benzyl 2-bromoacetate(5437-45-6) |
| EPA chemische Informationen | Benzyl bromoacetate (5437-45-6) |
Sicherheit & Vorschriften
| F | 19 |
|---|---|
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | 2810 |
| Zollcode | 29159080 |
| RTECS-Nr. | AF5957215 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-37/39 |
| Lagerklasse | 10 - Combustible liquids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
It is employed in biological research purpose. Benzyl bromoacetate was used in the alkylation of (-)-2,3-O-isopropylidene-D-threitol that afforded lipopeptide, 2-[(4R,5R)-5-({[(9H-fluoren-9-yl)methoxy]carbonylaminomethyl}-2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]acetic acid.