HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
4-Brombenzophenon
(4-Bromophenyl)(phenyl)methanone · 9-(4-broMophenyl)-9-phenyl-9H-fluorene · USAF do-3 · 4-BROMOBENZOPHENONE · P-BROMOBENZOPHENONE · 4-bromo-benzophenon · p-benzoylbromobenzene · Benzophenone, 4-bromo-
Identifikatoren & physikalische Daten
| CAS No. | 90-90-4 |
|---|---|
| Summenformel | C13H9BrO |
| Durchschnittliche Molmasse | 261,11 g/mol |
| Monoisotopische Masse | 259,98367701 g/mol |
| SMILES | O=C(c1ccccc1)c1ccc(Br)cc1 |
| InChIKey | KEOLYBMGRQYQTN-UHFFFAOYSA-N |
| PubChem CID | 7030 |
| EC No. | 202-024-9 |
| DTXSID | DTXSID0075366 |
| Lokaler Name | 4-Brombenzophenon |
Chemische & physikalische Eigenschaften
| XLogP | 4,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 15 |
| Formalladung | 0 |
| Komplexität | 213 |
| Stoffklassen | Other Classes -> Benzophenones |
| SpringerMaterials Properties | 13C nuclear magnetic resonance spectrum |
| Physical Description | White odorless powder[Alfa Aesar MSDS] |
| Schmelzpunkt | 79-84 °C(lit.) |
| Siedepunkt | 350 °C(lit.) |
| Dichte | 1.4245 (rough estimate) |
| Brechungsindex | 1.5130 (estimate) |
| Flammpunkt | 350°C |
| Lagerbedingungen | Sealed in dry,Room Temperature |
| Aggregatzustand | Crystalline Powder |
| Farbe | White to light beige |
| Löslichkeit | Insoluble in water but slightly soluble in other solvents such as ethanol, ether and benzene. |
| BRN | 1910182 |
| InChI | InChI=1S/C13H9BrO/c14-12-8-6-11(7-9-12)13(15)10-4-2-1-3-5-10/h1-9H |
| InChIKey | KEOLYBMGRQYQTN-UHFFFAOYSA-N |
| SMILES | C(C1=CC=C(Br)C=C1)(C1=CC=CC=C1)=O |
| CAS Datenbank | 90-90-4(CAS DataBase Reference) |
| EPA chemische Informationen | 4-Bromobenzophenone (90-90-4) |
Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (20%): Causes skin irritation [Warning Skin corrosion/irritation]P260, P261, P264, P264+P265, P271, P273, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P391, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 10 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Gefahrenübersicht | Intraperitoneal LD50 (mouse) = 100 mg/kg[RTECS] May cause irritation[Alfa Aesar MSDS] See Benzophenone. |
| Hazard Classes and Categories | Skin Irrit. 2 (20%) |
| Wassergefährdungsklasse (WGK) | 3 |
| Zollcode | 29147000 |
| RTECS-Nr. | DJ0350000 |
| R-Sätze (R) | 36/37/38 |
| Gefahrensymbole | Xi |
| Sicherheitshinweise (S) | 37/39-26 |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
4-Bromobenzophenone is used in analytical applications such as HPLC and GC. It is also used as a chemical reagent and pharmaceutical intermediate.