HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Acetyl-5-iodothiophene
Nsc 80387 · BUTTPARK 121\08-12 · 2-ACETYL-5-IODOTHIOPHENE · 5-Iodo-2-acetylthiophene · 1-(5-Iodo-2-thienyl)ethanone · 1-(5-IODOTHIOPHEN-2-YL)ETHANONE · Ethanone, 1-(5-iodo-2-thienyl)- · 1-(5-iodo-2-thiophenyl)ethanone
Identifikatoren & physikalische Daten
| CAS No. | 30955-94-3 |
|---|---|
| Summenformel | C6H5IOS |
| Durchschnittliche Molmasse | 252,07 g/mol |
| Monoisotopische Masse | 251,91058378 g/mol |
| SMILES | CC(=O)c1ccc(I)s1 |
| InChIKey | XBUCSKKBSJSRLJ-UHFFFAOYSA-N |
| PubChem CID | 96569 |
| EC No. | 623-801-2 |
| DTXSID | DTXSID60184936 |
Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
|---|---|
| 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 | 130-134 °C (lit.) |
| Siedepunkt | 306.2±27.0 °C(Predicted) |
| Dichte | 1.902±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C(protect from light) |
| Aggregatzustand | solid |
| Löslichkeit | Insoluble in water. |
| InChI | 1S/C6H5IOS/c1-4(8)5-2-3-6(7)9-5/h2-3H,1H3 |
| InChIKey | XBUCSKKBSJSRLJ-UHFFFAOYSA-N |
| SMILES | CC(=O)c1ccc(I)s1 |
| CAS Datenbank | 30955-94-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]P233, P260, P261, P264, P264+P265, P271, P280, P284, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P342+P316, P362+P364, P403, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 40 reports by companies from 3 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 | 29349990 |
| R-Sätze (R) | 36/37/38-42/43 |
| Gefahrensymbole | Xn |
| Sicherheitshinweise (S) | 22-26-36/37-45 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Resp. Sens. 1Skin Irrit. 2STOT SE 3 |
Anwendungen & Verwendung
Verwenden
It is used to produce other chemicals. For example, it can react with 5-Ethyl-4-methyl-thiazole to get 2-Acetyl-5-(5-ethyl-4-methyl-2-thiazolyl)thiophene in the presence of solvent acetonitrile and other condition of heating for 4 hours.