HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-(4-Chlorophenyl)-2-furaldehyde
AKOS B004122 · AKOS BAR-0548 · AURORA KA-4235 · ASISCHEM N16482 · ZERENEX E/4047331 · TIMTEC-BB SBB003482 · ART-CHEM-BB B004122 · 5-(4-CHLOROPHENYL)FURFURAL
Identifikatoren & physikalische Daten
| CAS No. | 34035-03-5 |
|---|---|
| Summenformel | C11H7ClO2 |
| Durchschnittliche Molmasse | 206,62 g/mol |
| Monoisotopische Masse | 206,01345714 g/mol |
| SMILES | O=Cc1ccc(-c2ccc(Cl)cc2)o1 |
| InChIKey | ROJGJNINTRCMBL-UHFFFAOYSA-N |
| PubChem CID | 676184 |
| ChEMBL | CHEMBL375867 |
| EC No. | 623-617-2 |
| DTXSID | DTXSID00350254 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 30,2 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 14 |
| Formalladung | 0 |
| Komplexität | 199 |
| SpringerMaterials Properties | Chemical structure |
| Schmelzpunkt | 128-131 °C (lit.) |
| Siedepunkt | 350.7±32.0 °C(Predicted) |
| Dichte | 1.282±0.06 g/cm3(Predicted) |
| Lagerbedingungen | under inert gas (nitrogen or Argon) at 2-8°C |
| Aggregatzustand | Needles |
| Farbe | Pale brown |
| InChI | 1S/C11H7ClO2/c12-9-3-1-8(2-4-9)11-6-5-10(7-13)14-11/h1-7H |
| InChIKey | ROJGJNINTRCMBL-UHFFFAOYSA-N |
| SMILES | Clc1ccc(cc1)-c2ccc(C=O)o2 |
| CAS Datenbank | 34035-03-5(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): 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 42 reports by companies from 5 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 | 29321900 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36-37/39 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-(4-Chlorophenyl)furfural is a metabolite of Azimilide (A926950, 2 HCl); an oral type III potassium channel blocker agent that blocks both the rapid activating component and the slow activating component of the delayed rectifier potassium current. Both preclinical and clinical studies have demonstrated the efficacy of Azimilide and its safety in the treatment of supraventricular and ventricular tachyarrhythmia. Azimilide is also being studied in a worldwide multicenter trial for prevention of sudden cardiac death in patients after myocardial infarction.