HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
5-(3-Chlorophenyl)furfural
AKOS B015974 · AKOS BAR-0549 · AURORA KA-4240 · ASISCHEM N43033 · TIMTEC-BB SBB003483 · ART-CHEM-BB B015974 · 5-(3-CHLOROPHENYL)FURFURAL · 5-(3-Chlorophenyl)-2-furaldehyde
Identifikatoren & physikalische Daten
| CAS No. | 22078-59-7 |
|---|---|
| Summenformel | C11H7ClO2 |
| Durchschnittliche Molmasse | 206,62 g/mol |
| Monoisotopische Masse | 206,01345714 g/mol |
| SMILES | O=Cc1ccc(-c2cccc(Cl)c2)o1 |
| InChIKey | FIGLPGGFAIZKFQ-UHFFFAOYSA-N |
| PubChem CID | 609822 |
| ChEMBL | CHEMBL4471594 |
| EC No. | 624-320-0 |
| DTXSID | DTXSID50346122 |
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 | 207 |
| Schmelzpunkt | 109-111 °C(lit.) |
| Siedepunkt | 354.7±32.0 °C(Predicted) |
| Dichte | 1.282±0.06 g/cm3(Predicted) |
| InChI | 1S/C11H7ClO2/c12-9-3-1-2-8(6-9)11-5-4-10(7-13)14-11/h1-7H |
| InChIKey | FIGLPGGFAIZKFQ-UHFFFAOYSA-N |
| SMILES | Clc1cccc(c1)-c2ccc(C=O)o2 |
| CAS Datenbank | 22078-59-7(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 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 | 2932190090 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | IRRITANTEye Irrit. 2Skin Irrit. 2STOT SE 3 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
5-(3-Chlorophenyl)furfural (5-(3-chlorophenyl)-2-furfuraldehyde) was used in the synthesis of (5-(3-chlorophenyl)furfuran-2-yl)methanol.