HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Brom-4-butanolid
3-Bromodihydrofuran-2(3H)-one · α-Bromo-γ-butyrolactone · 3-Bromotetrahydrofuran-2-one · 3-Bromdihydrofuran-2(3H)-on · ALPHA-BROMO-GAMMA-BUTYROLACTONE · AKOS 23 · à-bromo- · NSC 11726
Identifikatoren & physikalische Daten
| CAS No. | 5061-21-2 |
|---|---|
| Summenformel | C4H5BrO2 |
| Durchschnittliche Molmasse | 164,99 g/mol |
| Monoisotopische Masse | 163,9472915 g/mol |
| SMILES | O=C1OCCC1Br |
| InChIKey | LFJJGHGXHXXDFT-UHFFFAOYSA-N |
| PubChem CID | 95463 |
| EC No. | 225-764-4 |
| DTXSID | DTXSID20884127 |
| Lokaler Name | 2-Brom-4-butanolid |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 91,7 |
| Stoffklassen | Other Classes -> Lactones |
| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
| Siedepunkt | 138 °C/6 mmHg (lit.) |
| Dichte | 1.786 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.508(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Acetone, Chloroform, Ethyl Acetate, Methanol |
| Aggregatzustand | Clear Colourless to Light Yellow Liquid |
| Wichte | 1.778 (20/4℃) |
| BRN | 107800 |
| InChI | InChI=1S/C4H5BrO2/c5-3-1-2-7-4(3)6/h3H,1-2H2 |
| InChIKey | LFJJGHGXHXXDFT-UHFFFAOYSA-N |
| SMILES | O1CCC(Br)C1=O |
| CAS Datenbank | 5061-21-2(CAS DataBase Reference) |
| NIST chemische Informationen | 2(3H)-Furanone, 3-bromodihydro-(5061-21-2) |
| EPA chemische Informationen | 2(3H)-Furanone, 3-bromodihydro- (5061-21-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (97.9%): 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 47 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | A skin and strong eye irritant[Alfa Aesar MSDS] See Butyrolactone. |
| Hazard Classes and Categories | Skin Irrit. 2 (97.9%) |
| F | 21 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 |
| Zollcode | 29322980 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant/Keep Cold/Lachrymatory/Moisture Sensitive |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 10 - Combustible liquids |
Anwendungen & Verwendung
Verwenden
Lactams inhibit type Q arylesterase activity of human serum paraoxonase PON1.