HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
3'-Bromo-5'-chloro-2'-hydroxyacetophenone
AKOS BB-6936 · 2-ACETYL-6-BROMO-4-CHLOROPHENOL · 3-Bromo-5-chloro-2-hydroxyacetoohenone · 5-CHLORO-3-BROMO-2-HYDROXYACETOPHENONE · 3'-Bromo-5'-chloro-2-hydroxyacetophenone · 3'-Bromo-5'-chloro-2'-hydroxyacetophenone · 5’-Bromo-3’-chloro-2’-hydroxyacetophenone · 5-CHLORO-3-BROMO-2-HYDROXYACETOPHENONE,97 %
Identifikatoren & physikalische Daten
| CAS No. | 59443-15-1 |
|---|---|
| Summenformel | C8H6BrClO2 |
| Durchschnittliche Molmasse | 249,49 g/mol |
| Monoisotopische Masse | 247,92397 g/mol |
| SMILES | CC(=O)c1cc(Cl)cc(Br)c1O |
| InChIKey | FFAVKFQPEOGJOA-UHFFFAOYSA-N |
| PubChem CID | 2735546 |
| EC No. | 626-689-3 |
| DTXSID | DTXSID50370785 |
Chemische & physikalische Eigenschaften
| XLogP | 3,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 37,3 |
| H-Brücken-Donoren | 1 |
| H-Brücken-Akzeptoren | 2 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 186 |
| Schmelzpunkt | 100-103 °C(lit.) |
| Siedepunkt | 297.8±40.0 °C(Predicted) |
| Dichte | 1.691±0.06 g/cm3(Predicted) |
| Lagerbedingungen | 2-8°C |
| Aggregatzustand | powder to crystal |
| pKa (Säurekonstante) | 8.19±0.23(Predicted) |
| Farbe | Light orange to Yellow to Green |
| InChI | 1S/C8H6BrClO2/c1-4(11)6-2-5(10)3-7(9)8(6)12/h2-3,12H,1H3 |
| InChIKey | FFAVKFQPEOGJOA-UHFFFAOYSA-N |
| SMILES | CC(=O)c1cc(Cl)cc(Br)c1O |
| CAS Datenbank | 59443-15-1(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 | 29147000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| hazard_note | Irritant |
| Sicherheitshinweise (S) | 26-36 |
| Lagerklasse | 11 - Combustible Solids |
| Gefahrenklasse | Eye Irrit. 2Skin Irrit. 2STOT SE 3 |
Herstellung & Synthese
synthetische
Preparation by bromination of 5-chloro-2-hydroxyacetophenone in acetic acid (65%).