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2-Brom-1-(2,4-dichlorphenyl)ethan-1-on
2-bromo-1-(2,4-dichlorophenyl)ethan-1-one · 2-BROMO-1-(2,4-DICHLOROPHENYL)ETHANONE · AKOS BBS-00003995 · TIMTEC-BB SBB003050 · 2-Bromo-2’,4’-dichL · Ketoconazole Impurity 37 · 2,4-DICHLOROPHENACYL BROMIDE · 2,4-DichlorophenacylBromide>2,4-Dichlorophenacyl bromide 97%
Identifikatoren & physikalische Daten
| CAS No. | 2631-72-3 |
|---|---|
| Summenformel | C8H5BrCl2O |
| Durchschnittliche Molmasse | 267,93 g/mol |
| Monoisotopische Masse | 265,89008 g/mol |
| SMILES | O=C(CBr)c1ccc(Cl)cc1Cl |
| InChIKey | DASJDMQCPIDJIF-UHFFFAOYSA-N |
| PubChem CID | 75828 |
| EC No. | 220-116-7 |
| DTXSID | DTXSID80180930 |
| Lokaler Name | 2-Brom-1-(2,4-dichlorphenyl)ethan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 3,7 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 12 |
| Formalladung | 0 |
| Komplexität | 174 |
| Schmelzpunkt | 25-29 °C(lit.) |
| Siedepunkt | 103-106 °C(Press: 0.4 Torr) |
| Dichte | 1.695±0.06 g/cm3(Predicted) |
| Brechungsindex | 1.60 |
| Flammpunkt | >230 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | Chloroform, Methanol |
| Aggregatzustand | Low Melting Solid |
| Farbe | White to brown |
| InChI | InChI=1S/C8H5BrCl2O/c9-4-8(12)6-2-1-5(10)3-7(6)11/h1-3H,4H2 |
| InChIKey | DASJDMQCPIDJIF-UHFFFAOYSA-N |
| SMILES | C(=O)(C1=CC=C(Cl)C=C1Cl)CBr |
| CAS Datenbank | 2631-72-3(CAS DataBase Reference) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH301 (95.2%): Toxic if swallowed [Danger Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P316, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+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 | Acute Tox. 3 (95.2%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3335 |
| Zollcode | 29147000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi,C |
| hazard_note | Corrosive/Lachrymatory |
| Sicherheitshinweise (S) | 26-36 |
| Gefahrenklasse | 8 |
| Verpackungsgruppe | II |
Anwendungen & Verwendung
Verwenden
2-Bromo-2',4'-dichloroacetophenone is a metabolite of the insecticide Bromfenvinphos. It is also a useful intermediate in the preparation of substituted acetophenone derivatives.