HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
1-(5-Brom-2-thienyl)ethan-1-on
1-(5-broMothiophen-2-yl)ethan-1-one · AKOS 93373 · BUTTPARK 52\12-17 · -5-bromothiophene · 2-Acetyl-5-bromothio · LABOTEST-BB LT01138486 · 2-Acetyl-5-bromthiophen · 5-Bromo 2-acetylthiophene
Identifikatoren & physikalische Daten
| CAS No. | 5370-25-2 |
|---|---|
| Summenformel | C6H5BrOS |
| Durchschnittliche Molmasse | 205,07 g/mol |
| Monoisotopische Masse | 203,92444788 g/mol |
| SMILES | CC(=O)c1ccc(Br)s1 |
| InChIKey | IGBZCOWXSCWSHO-UHFFFAOYSA-N |
| PubChem CID | 79335 |
| EC No. | 226-363-7 |
| DTXSID | DTXSID70201961 |
| Lokaler Name | 1-(5-Brom-2-thienyl)ethan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 2,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 45,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 9 |
| Formalladung | 0 |
| Komplexität | 126 |
| SpringerMaterials Properties | Chemical shift |
| Schmelzpunkt | 94-96 °C (lit.) |
| Siedepunkt | 103 °C/4 mmHg (lit.) |
| Dichte | 1.649 (estimate) |
| Flammpunkt | 103°C/4mm |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2–8 °C |
| Löslichkeit | soluble in Methanol |
| Aggregatzustand | Crystalline Flakes or Powder |
| Farbe | Yellow |
| BRN | 113949 |
| InChI | InChI=1S/C6H5BrOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3 |
| InChIKey | IGBZCOWXSCWSHO-UHFFFAOYSA-N |
| SMILES | C(=O)(C1SC(Br)=CC=1)C |
| CAS Datenbank | 5370-25-2(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Acetyl-5-bromothiophene(5370-25-2) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (85.7%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (85.7%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN2811 |
| Zollcode | 29339900 |
| R-Sätze (R) | 36/37/38-20/21/22 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 36/37/39-26-22 |
| Gefahrenklasse | LIGHT SENSITIVE |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
2-Acetyl-5-bromothiophene was used as a starting reagent in the synthesis of bithiophene bis-imidazo[1,2-a]pyridine derivatives. It was also used in the preparation of phosphorus-containing fused bicyclic 5,6-membered compounds.