HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 521241Erstellt: 27. Oktober 2026
2-Nitrocyclohexanone
2-Nitrocyclohexan-1-one · 2-Nitrocyclohexanone · Cyclohexanone, 2-nitro- · alpha-Nitrocyclohexanone · 2-Nitrocyclohexanone 99% · Cyclohexanone, 2-nitro- (6CI, 7CI, 8CI, 9CI)
https://huagongshe.com/de/chemical/521241
Identifikatoren & physikalische Daten
| CAS No. | 4883-67-4 |
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| Summenformel | C6H9NO3 |
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| Durchschnittliche Molmasse | 143,14 g/mol |
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| Monoisotopische Masse | 143,05824315 g/mol |
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| SMILES | O=C1CCCCC1[N+](=O)[O-] |
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| InChIKey | SZNILIWUUKKNPE-UHFFFAOYSA-N |
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| PubChem CID | 521241 |
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| EC No. | 628-275-8 |
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| DTXSID | DTXSID50334589 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,9 |
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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 | 0 |
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| Schwere Atome | 10 |
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| Formalladung | 0 |
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| Komplexität | 161 |
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| Schmelzpunkt | 39-43 °C (lit.) |
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| Siedepunkt | 84-86 °C(Press: 0.4 Torr) |
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| Dichte | 1.19±0.1 g/cm3(Predicted) |
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| Flammpunkt | >230 °F |
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| pKa (Säurekonstante) | 5.84±0.20(Predicted) |
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| Aggregatzustand | solid |
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| InChI | InChI=1S/C6H9NO3/c8-6-4-2-1-3-5(6)7(9)10/h5H,1-4H2 |
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| InChIKey | SZNILIWUUKKNPE-UHFFFAOYSA-N |
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| SMILES | C1(=O)CCCCC1[N+]([O-])=O |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]H319 (100%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264, P264+P265, P270, P280, P301+P317, P305+P351+P338, P330, P337+P317, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 42 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website. |
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| Hazard Classes and Categories | Acute Tox. 4 (100%)Eye Irrit. 2A (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2914790090 |
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| R-Sätze (R) | 22-36 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Acute Tox. 4 OralEye Irrit. 2 |
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