HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 5368705Erstellt: 2. November 2026
beta,2-Dinitrostyrene
ST5437233 · ZINC02169230 · Maybridge1_006908 · á,2-dinitrostyrene · BUTTPARK 121\06-28 · SS,2-DINITROSTYRENE · 2,Beta-dinitrostyrene · BETA,2-DINITROSTYRENE
https://huagongshe.com/de/chemical/5368705
Identifikatoren & physikalische Daten
| CAS No. | 3156-39-6 |
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| Summenformel | C8H6N2O4 |
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| Durchschnittliche Molmasse | 194,14 g/mol |
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| Monoisotopische Masse | 194,03275668 g/mol |
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| SMILES | O=[N+]([O-])/C=C/c1ccccc1[N+](=O)[O-] |
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| InChIKey | INIQBBVYBCGEIX-AATRIKPKSA-N |
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| PubChem CID | 5368705 |
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| EC No. | 621-640-2 |
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| DTXSID | DTXSID80879317 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 91,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 14 |
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| Formalladung | 0 |
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| Komplexität | 253 |
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| LogP (Verteilungskoeffizient) | 1.8 |
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| Schmelzpunkt | 106-108 °C(lit.) |
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| Siedepunkt | 356.6±25.0 °C(Predicted) |
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| Dichte | 1.401±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | 2-8°C |
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| BRN | 1964093 |
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| CAS Datenbank | 3156-39-6 |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH315 (100%): Causes skin irritation [Warning Skin corrosion/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)Aggregated GHS information provided per 39 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Hazard Classes and Categories | Skin Irrit. 2 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| Zollcode | 2904200090 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-36 |
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