HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 609671Erstellt: 26. Oktober 2026
Dimethyl (4-nitrobenzylidene)malonate
DIMETHYL (4-NITROBENZYLIDENE)MALONATE · (4-Nitrobenzylidene)malonic acid dimethyl ester · 2-(4-Nitrobenzylidene)malonic acid dimethyl ester · [(4-Nitrophenyl)methylene]malonic acid dimethyl ester · Propanedioic acid, 2-[(4-nitrophenyl)methylene]-, 1,3-dimethyl ester
https://huagongshe.com/de/chemical/609671
Identifikatoren & physikalische Daten
| CAS No. | 38323-22-7 |
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| Summenformel | C12H11NO6 |
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| Durchschnittliche Molmasse | 265,22 g/mol |
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| Monoisotopische Masse | 265,05863707 g/mol |
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| SMILES | COC(=O)C(=Cc1ccc([N+](=O)[O-])cc1)C(=O)OC |
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| InChIKey | WKQDFBKYIAEZEP-UHFFFAOYSA-N |
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| PubChem CID | 609671 |
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| ChEMBL | CHEMBL2148170 |
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| EC No. | 620-599-8 |
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| DTXSID | DTXSID80346110 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,3 |
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| Polarare Oberfläche (TPSA) | 98,4 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 6 |
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| Frei drehbare Bindungen | 5 |
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| Schwere Atome | 19 |
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| Formalladung | 0 |
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| Komplexität | 372 |
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| Schmelzpunkt | 137-139 °C(lit.) |
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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 38 reports by companies from 1 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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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 26-37/39 |
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