HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
2-Brompropiophenon
2-bromo-1-phenylpropan-1-one · tl336 · TL 336 · NSC 89689 · WLN: EY1&VR · BROMPROPIOPHENONE · Bromophenylacetone · -Bromopropiophenone
Identifikatoren & physikalische Daten
| CAS No. | 2114-00-3 |
|---|---|
| Summenformel | C9H9BrO |
| Durchschnittliche Molmasse | 213,07 g/mol |
| Monoisotopische Masse | 211,98367701 g/mol |
| SMILES | CC(Br)C(=O)c1ccccc1 |
| InChIKey | WPDWOCRJBPXJFM-UHFFFAOYSA-N |
| PubChem CID | 16452 |
| EC No. | 218-307-5 |
| DTXSID | DTXSID10870938 |
| Lokaler Name | 2-Brompropiophenon |
Chemische & physikalische Eigenschaften
| XLogP | 2,8 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 1 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 138 |
| SpringerMaterials Properties | Optical coefficient |
| Siedepunkt | 245-250 °C (lit.) |
| Dichte | 1.4 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.571(lit.) |
| Flammpunkt | >230 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform (Slightly), Ethyl Acetate (Slightly), MethanolInsoluble |
| Aggregatzustand | Oil |
| Wichte | 1.4 |
| Farbe | Clear Pale Yellow to Green |
| BRN | 508550 |
| Stabilität | Light Sensitive |
| LogP (Verteilungskoeffizient) | 2.540 (est) |
| CAS Datenbank | 2114-00-3(CAS DataBase Reference) |
| NIST chemische Informationen | 1-Propanone, 2-bromo-1-phenyl-(2114-00-3) |
| EPA chemische Informationen | 1-Propanone, 2-bromo-1-phenyl- (2114-00-3) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH315 (89.1%): Causes skin irritation [Warning Skin corrosion/irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P316, 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 46 reports by companies from 6 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | 2-Bromopropiophenone: Does not have an individual approval but may be used under an appropriate group standard |
| Hazard Classes and Categories | Skin Irrit. 2 (89.1%) |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2810 6.1/PG 2 |
| Zollcode | 29147090 |
| RTECS-Nr. | UG8400000 |
| R-Sätze (R) | 36/37/38-22 |
| Toxizität | mouse,LCLo,inhalation,1600mg/m3/10M (1600mg/m3),National Defense Research Committee, Office of Scientific Research and Development, Progress Report.Vol. NDCrc-132, Pg. AUG1942, |
| Gefahrensymbole | Xi,Xn |
| Sicherheitshinweise (S) | 26-36/37/39-37/39 |
| Gefahrenklasse | 6.1 |
| Verpackungsgruppe | Ⅲ |
Anwendungen & Verwendung
Verwenden
2-Bromopropiophenone (α-Bromopropiophenone) may be used for the synthesis of 2-phenylmorpholinols. It may also be used in the synthesis of N-phenacylammonium salts [N-(α-benzoylbenzyl)-, N-(1-benzoylethyl)-, N-phenacyl-, pyrazinium, 3-bromoquinolinium, benzothiazolium, or p-cyanopyridinium hexafluoroantimonates].