HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 367151Erstellt: 3. November 2026
2-(4-Methoxybenzylidene)-1H-indene-1,3(2H)-dione
Indane-1,3-dione, 2-(4-methoxybenzylideno)- · 2-(4-methoxybenzylidene)-1H-indene-1,3(2H)-dione · 1H-Indene-1,3(2H)-dione, 2-[(4-methoxyphenyl)methylene]-
https://huagongshe.com/de/chemical/367151
Identifikatoren & physikalische Daten
| CAS No. | 7421-76-3 |
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| Summenformel | C17H12O3 |
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| Durchschnittliche Molmasse | 264,27 g/mol |
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| Monoisotopische Masse | 264,07864424 g/mol |
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| SMILES | COc1ccc(C=C2C(=O)c3ccccc3C2=O)cc1 |
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| InChIKey | BWCXIEOVFGKDBR-UHFFFAOYSA-N |
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| PubChem CID | 367151 |
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| ChEMBL | CHEMBL25577 |
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| EC No. | 123-574-5 |
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| DTXSID | DTXSID70327170 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,5 |
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| Polarare Oberfläche (TPSA) | 43,4 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 3 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 20 |
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| Formalladung | 0 |
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| Komplexität | 404 |
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| Schmelzpunkt | 155-156 °C |
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| Siedepunkt | 479.2±45.0 °C(Predicted) |
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| Dichte | 1.299±0.06 g/cm3(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P280, P302+P352, P321, P333+P317, P362+P364, 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 Sens. 1 (100%) |
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