HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-(4-Chlorophenyl)-1-(2,4-dihydroxyphenyl)ethanone
2-(4-chlorophenyl)-1-(2,4-dihydroxyphenyl)ethan-1-one · Ethanone, 2-(4-chlorophenyl)-1-(2,4-dihydroxyphenyl)- · JR-6423, 2-(4-Chlorophenyl)-1-(2,4-dihydroxyphenyl)ethanone, 97%
Identifikatoren & physikalische Daten
| CAS No. | 15485-64-0 |
|---|---|
| Summenformel | C14H11ClO3 |
| Durchschnittliche Molmasse | 262,69 g/mol |
| Monoisotopische Masse | 262,03967189 g/mol |
| SMILES | O=C(Cc1ccc(Cl)cc1)c1ccc(O)cc1O |
| InChIKey | OOSNDHMLIFRVBM-UHFFFAOYSA-N |
| PubChem CID | 586366 |
| ChEMBL | CHEMBL1077251 |
| EC No. | 121-966-0 |
| DTXSID | DTXSID00342977 |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 57,5 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 18 |
| Formalladung | 0 |
| Komplexität | 287 |
| Schmelzpunkt | 153-154 °C |
| Siedepunkt | 456.0±14.0 °C(Predicted) |
| Dichte | 1.379±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 7.60±0.35(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, P391, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
|---|---|
| Hazard Classes and Categories | Skin Sens. 1 (100%) |
| Zollcode | 2914390090 |
Herstellung & Synthese
synthetische
Preparation by Friedel–Crafts acylation of resorcinol with p-chlorophenylacetyl chloride in nitrobenzene in the presence of aluminium chloride for some hours at 40–50° (64%).