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HCID 310608Erstellt: 3. November 2026
2-(3,4-Dimethoxy-phenyl)-indan-1,3-dione
2-(3,4-dimethoxyphenyl)indane-1,3-dione · 2-(3,4-dimethoxyphenyl)indene-1,3-dione · 2-(3,4-DIMETHOXY-PHENYL)-INDAN-1,3-DIONE · 2-(3,4-dimethoxyphenyl)indane-1,3-quinone · Indane-1,3-dione, 2-(3,4-dimethoxyphenyl)- · 2-(3,4-Dimethoxyphenyl)-1H-indene-1,3(2H)-dione · 1H-Indene-1,3(2H)-dione, 2-(3,4-dimethoxyphenyl)-
https://huagongshe.com/de/chemical/310608
Identifikatoren & physikalische Daten
| CAS No. | 1470-38-8 |
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| Summenformel | C17H14O4 |
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| Durchschnittliche Molmasse | 282,29 g/mol |
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| Monoisotopische Masse | 282,08920892 g/mol |
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| SMILES | COc1ccc(C2C(=O)c3ccccc3C2=O)cc1OC |
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| InChIKey | ABMVPHQMDUVUSM-UHFFFAOYSA-N |
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| PubChem CID | 310608 |
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| ChEMBL | CHEMBL41920 |
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| EC No. | 653-780-5 |
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| DTXSID | DTXSID10309733 |
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Chemische & physikalische Eigenschaften
| XLogP | 2,9 |
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| Polarare Oberfläche (TPSA) | 52,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 3 |
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| Schwere Atome | 21 |
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| Formalladung | 0 |
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| Komplexität | 395 |
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| Siedepunkt | 458.9±45.0 °C(Predicted) |
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| Dichte | 1.261±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 8.03±0.20(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]P264, P270, P273, P301+P317, P330, P391, 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 | Acute Tox. 4 (100%) |
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| Gefahrenklasse | IRRITANT |
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