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2-Brom-1-(3-nitrophenyl)ethan-1-on
2-BroMo-3&priMe · AKOS BBS-00003963 · Alpha-Bromo-3'-nitroacetophenone · 3-Nitrophenacylbromid · LABOTEST-BB LT00233190 · 3-NITROPHENACYL BROMIDE · M-NITROPHENACYL BROMIDE · 3'-NITROPHENACYL BROMIDE
Identifikatoren & physikalische Daten
| CAS No. | 2227-64-7 |
|---|---|
| Summenformel | C8H6BrNO3 |
| Durchschnittliche Molmasse | 244,04 g/mol |
| Monoisotopische Masse | 242,95310515 g/mol |
| SMILES | O=C(CBr)c1cccc([N+](=O)[O-])c1 |
| InChIKey | GZHPNIQBPGUSSX-UHFFFAOYSA-N |
| PubChem CID | 75213 |
| EC No. | 218-764-0 |
| DTXSID | DTXSID00176815 |
| Lokaler Name | 2-Brom-1-(3-nitrophenyl)ethan-1-on |
Chemische & physikalische Eigenschaften
| XLogP | 2,2 |
|---|---|
| Polarare Oberfläche (TPSA) | 62,9 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 2 |
| Schwere Atome | 13 |
| Formalladung | 0 |
| Komplexität | 214 |
| Schmelzpunkt | 90-96 °C(lit.) |
| Siedepunkt | 288.6±15.0 °C(Predicted) |
| Dichte | 1.8033 (rough estimate) |
| Brechungsindex | 1.6090 (estimate) |
| Lagerbedingungen | Inert atmosphere,Room Temperature |
| Löslichkeit | Soluble in methanol. |
| Aggregatzustand | Crystalline Powder |
| Farbe | Beige-orange to yellow-green |
| BRN | 610594 |
| InChI | 1S/C8H6BrNO3/c9-5-8(11)6-2-1-3-7(4-6)10(12)13/h1-4H,5H2 |
| InChIKey | GZHPNIQBPGUSSX-UHFFFAOYSA-N |
| SMILES | [O-][N+](=O)c1cccc(c1)C(=O)CBr |
| CAS Datenbank | 2227-64-7(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Bromo-3'-nitroacetophenone(2227-64-7) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]P260, P264, P264+P265, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P321, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Skin Corr. 1B (100%) |
| Wassergefährdungsklasse (WGK) | 3 |
| UN-Transportnummer | UN 3261 8/PG 2 |
| Zollcode | 29147000 |
| R-Sätze (R) | 34 |
| Gefahrensymbole | C |
| Sicherheitshinweise (S) | 26-27-28-36/37/39-45 |
| Gefahrenklasse | 8Skin Corr. 1B |
| Verpackungsgruppe | III |
| Lagerklasse | 8A - Combustible corrosive hazardous materials |
Anwendungen & Verwendung
Verwenden
2-Bromo-3′-nitroacetophenone may be used in the preparation of 2-bromo-3′-nitroacetophenone. It may be used in the preparation of 2-hydroxy-ethyl-1-[(3-nitro-phenyl)-2-oxoethyl]-piperidinium bromide.