HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosylbromid
(2R,3R,4S,5R,6R)-2-(Acetoxymethyl)-6-bromotetrahydro-2H-pyran-3,4,5-triyl triacetate · 2,3,4,6-tetra-o-acetyl-α-d-glucopyranosyl bromide · ACETOBROMOGLUCOSE · Acetobromglucose · acetobromo-a-d-glucose · Acetobromo-α-D-glucose · A-D-GLUCOPYRANOSYL BROMIDE · ALPHA-ACETOBROMO-D-GLUCOSE
Identifikatoren & physikalische Daten
| CAS No. | 572-09-8 |
|---|---|
| Summenformel | C14H19BrO9 |
| Durchschnittliche Molmasse | 411,2 g/mol |
| Monoisotopische Masse | 410,02124429 g/mol |
| SMILES | CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
| InChIKey | CYAYKKUWALRRPA-RGDJUOJXSA-N |
| PubChem CID | 101776 |
| EC No. | 209-339-0 |
| DTXSID | DTXSID001031860 |
| Lokaler Name | 2,3,4,6-Tetra-O-acetyl-α-D-glucopyranosylbromid |
Chemische & physikalische Eigenschaften
| XLogP | 1,5 |
|---|---|
| Polarare Oberfläche (TPSA) | 114 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 9 |
| Frei drehbare Bindungen | 9 |
| Schwere Atome | 24 |
| Formalladung | 0 |
| Komplexität | 506 |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Schmelzpunkt | 86-89 °C |
| Siedepunkt | 0.125-30 °C(Press: 0.0005 Torr) |
| Dichte | 1.49±0.1 g/cm3(Predicted) |
| Lagerbedingungen | −20°C |
| Löslichkeit | Acetontrile (Very Slightly), Chloroform (Slightly), Methanol (Slightly)decomposes |
| Aggregatzustand | Powder |
| Farbe | White to beige |
| Biologische Quelle | synthetic (organic) |
| Merck | 14,60 |
| BRN | 96669 |
| Stabilität | Stable. Combustible. Incompatible with strong oxidizing agents. |
| InChI | 1S/C14H19BrO9/c1-6(16)20-5-10-11(21-7(2)17)12(22-8(3)18)13(14(15)24-10)23-9(4)19/h10-14H,5H2,1-4H3/t10-,11-,12+,13-,14+/m1/s1 |
| InChIKey | CYAYKKUWALRRPA-RGDJUOJXSA-N |
| SMILES | CC(=O)OC[C@H]1O[C@H](Br)[C@H](OC(C)=O)[C@@H](OC(C)=O)[C@@H]1OC(C)=O |
| CAS Datenbank | 572-09-8(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 86.4% (19 of 22) of all reports.WarningH315 (13.6%): 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 22 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | .alpha.-D-Glucopyranosyl bromide, tetraacetate: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (13.6%) |
| F | 8-10-21 |
| Wassergefährdungsklasse (WGK) | - |
| Zollcode | 29329985 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 24/25-36-26 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
An Intermediate in synthesis of ∫-glucosides