HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2,4'-Dibromacetophenon
99-73-0 · 2-BROMO-1-(4-BROMOPHENYL)ETHAN-1-ONE · PBPB · 2-BROMO-1-(4-BROMOPHENYL)ETHANONE · 4-BROMOPHENACYL BROMIDE · P-BROMOPHENACYL BROMIDE · p-bromophenacyl-8 · AKOS BBS-00000865
Identifikatoren & physikalische Daten
| CAS No. | 99-73-0 |
|---|---|
| Summenformel | C8H6Br2O |
| Durchschnittliche Molmasse | 277,94 g/mol |
| Monoisotopische Masse | 275,87854 g/mol |
| SMILES | O=C(CBr)c1ccc(Br)cc1 |
| InChIKey | FKJSFKCZZIXQIP-UHFFFAOYSA-N |
| PubChem CID | 7454 |
| ChEMBL | CHEMBL142826 |
| EC No. | 202-783-6 |
| DTXSID | DTXSID4059201 |
| Lokaler Name | 2,4'-Dibromacetophenon |
Chemische & physikalische Eigenschaften
| XLogP | 3,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 139 |
| Stoffklassen | Other Classes -> Aromatic Ketones, Halogenated |
| SpringerMaterials Properties | Nuclear quadrupole resonance spectroscopy |
| Physical Description | Solid[Merck Index] Off-white crystalline powder with a pungent odor[Alfa Aesar MSDS] |
| Schmelzpunkt | 108-110 °C(lit.) |
| Siedepunkt | 1415°C/760mm |
| Dichte | 1.7855 (rough estimate) |
| Brechungsindex | 1.5560 (estimate) |
| Lagerbedingungen | Store below +30°C. |
| Löslichkeit | DMF: 5 mg/mlDMSO: 2 mg/mlEthanol: 1 mg/mlPBS (pH 7.2): insolSoluble in dimethyl sulfoxide (5 mg/ml), methanol (20 mg/ml), toluene and ethanol. Insoluble in water. |
| Aggregatzustand | Crystalline Solid |
| Farbe | Slightly yellow to beige |
| Merck | 14,1427 |
| BRN | 607604 |
| Stabilität | Stable. Incompatible with strong bases, strong reducing agents, strong oxidizing agents. |
| InChI | 1S/C8H6Br2O/c9-5-8(11)6-1-3-7(10)4-2-6/h1-4H,5H2 |
| InChIKey | FKJSFKCZZIXQIP-UHFFFAOYSA-N |
| SMILES | BrCC(=O)c1ccc(Br)cc1 |
| CAS Datenbank | 99-73-0(CAS DataBase Reference) |
| EPA chemische Informationen | Ethanone, 2-bromo-1-(4-bromophenyl)- (99-73-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 49 reports by companies from 4 notifications to the ECHA C&L Inventory. |
|---|---|
| Regulatorische Informationen | Chemical: Ethanone, 2-bromo-1-(4-bromophenyl)-2,4'-Dibromoacetophenone: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes burns and lachrymationInhalation may cause corrosive injuries to upper respiratory tract and lungs[Alfa Aesar MSDS] See alpha-Chloroacetophenone. |
| Hazard Classes and Categories | Skin Corr. 1C (100%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 19-21 |
| Wassergefährdungsklasse (WGK) | 2 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29147090 |
| RTECS-Nr. | AM6950000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| hazard_note | Corrosive/Lachrymatory |
| Sicherheitshinweise (S) | 26-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2,4'-Dibromoacetophenone is used as a reagent for analysis of fatty acids by HPLC as 4-bromophenacyl esters, for use in the protection of phenols and carboxylic acids. It undergoes condensation reactions with aldehydes in the presence of SnCl2 or SmI3 to afford α,β-unsaturated ketones. It is also useful in the esterification of carboxylic acids.