HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 79246Erstellt: 26. Oktober 2026
3'-Nitro-4'-methylacetophenone
SKL334 · 4-Methyl-3- · 4-ACETYL-2-NITROTOLUENE · 4-METHYL-3-NITROACETOPHENONE · 3-NITRO-4-METHYL ACETOPHENONE · 3'-NITRO-4'-METHYLACETOPHENONE · 4'-Methyl-3'-nitroacetophenone · 4-METHYL-3-NITROACETOPHENONE 99%
https://huagongshe.com/de/chemical/79246
Identifikatoren & physikalische Daten
| CAS No. | 5333-27-7 |
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| Summenformel | C9H9NO3 |
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| Durchschnittliche Molmasse | 179,17 g/mol |
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| Monoisotopische Masse | 179,05824315 g/mol |
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| SMILES | CC(=O)c1ccc(C)c([N+](=O)[O-])c1 |
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| InChIKey | YRBBMDOBWRUMEZ-UHFFFAOYSA-N |
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| PubChem CID | 79246 |
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| EC No. | 963-349-6 |
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| DTXSID | DTXSID9063790 |
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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 | 221 |
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| Schmelzpunkt | 57-61 °C |
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| Siedepunkt | 256.4±20.0 °C(Predicted) |
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| Dichte | 1.201±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| BRN | 1953352 |
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| CAS Datenbank | 5333-27-7(CAS DataBase Reference) |
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| EPA chemische Informationen | Ethanone, 1-(4-methyl-3-nitrophenyl)- (5333-27-7) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposureRespiratory tract irritation]P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%)Eye Irrit. 2A (100%)STOT SE 3 (100%) |
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| TSCA-Inventar-Status | TSCA listed |
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| Zollcode | 2902900000 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 37/39-26 |
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