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HCID 87737Erstellt: 26. Oktober 2026
1-(4-Brom-3-nitrophenyl)ethan-1-on
1-(4-BROMO-3-NITROPHENYL)ETHAN-1-ONE · NSC 111656 · 4-BROMO-3-NITROACETOPHENONE · 3-Nitro-4-bromoacetophenone · 4-bromo-3'-nitroacetophenone · 4'-Bromo-3'-nitroacetophenone · Acetophenone, 4'-bromo-3'-nitro- · 4'-Bromo-3'-nitroacetophenone 97%
https://huagongshe.com/de/chemical/87737
Identifikatoren & physikalische Daten
| CAS No. | 18640-58-9 |
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| Summenformel | C8H6BrNO3 |
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| Durchschnittliche Molmasse | 244,04 g/mol |
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| Monoisotopische Masse | 242,95310515 g/mol |
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| SMILES | CC(=O)c1ccc(Br)c([N+](=O)[O-])c1 |
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| InChIKey | YFVOFFKNHQTQQE-UHFFFAOYSA-N |
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| PubChem CID | 87737 |
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| EC No. | 242-469-6 |
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| DTXSID | DTXSID90171899 |
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| Lokaler Name | 1-(4-Brom-3-nitrophenyl)ethan-1-on |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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| Polarare Oberfläche (TPSA) | 62,9 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 13 |
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| Formalladung | 0 |
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| Komplexität | 226 |
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| Schmelzpunkt | 117-121 °C(lit.) |
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| Siedepunkt | 275.4℃ |
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| Dichte | 1.637 |
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| Brechungsindex | 1.6090 (estimate) |
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| Flammpunkt | 120.4℃ |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Aggregatzustand | Amorphous Powder |
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| Farbe | White to slightly yellow |
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| BRN | 2050098 |
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| InChI | InChI=1S/C8H6BrNO3/c1-5(11)6-2-3-7(9)8(4-6)10(12)13/h2-4H,1H3 |
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| InChIKey | YFVOFFKNHQTQQE-UHFFFAOYSA-N |
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| SMILES | C(=O)(C1=CC=C(Br)C([N+]([O-])=O)=C1)C |
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| CAS Datenbank | 18640-58-9(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (14.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 7 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Acute Tox. 4 (14.3%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 29147000 |
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| R-Sätze (R) | 20/21/22 |
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| Gefahrensymbole | Xn |
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| Sicherheitshinweise (S) | 24/25 |
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| Lagerklasse | 11 - Combustible Solids |
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