HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Benzoyl-5-chlorophenol
2-Benzoyl-5-chlorophenol · (4-chloro-2-hydroxyphenyl)(phenyl)methanone · Methanone, (4-chloro-2-hydroxyphenyl)phenyl-
Identifikatoren & physikalische Daten
| CAS No. | 2985-80-0 |
|---|---|
| Summenformel | C13H9ClO2 |
| Durchschnittliche Molmasse | 232,66 g/mol |
| Monoisotopische Masse | 232,0291072 g/mol |
| SMILES | O=C(c1ccccc1)c1ccc(Cl)cc1O |
| InChIKey | JYFJHKRWGLEWKH-UHFFFAOYSA-N |
| PubChem CID | 41389 |
| EC No. | 834-194-0 |
| DTXSID | DTXSID60203813 |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 16 |
| Formalladung | 0 |
| Komplexität | 248 |
| Schmelzpunkt | 77°C |
| Siedepunkt | 345.8±27.0 °C(Predicted) |
| Dichte | 1.307±0.06 g/cm3(Predicted) |
| pKa (Säurekonstante) | 6.97±0.35(Predicted) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, 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 | Acute Tox. 4 (100%) |
| Alarmwort | Warnung |
| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H302 |
Herstellung & Synthese
synthetische
Preparation by Fries rearrangement of m-chlorophenyl benzoate, with aluminium chloride, without solvent, at 140° for 1 h (54%), at 150° for 2 h (58%)], at 175° for 15 min (80%) or at 200° for 20 min; with titanium tetrachloride for 15 min at 175° (67%).