HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 3696779Erstellt: 2. November 2026
2-(4-Heptylphenyl)-2-oxoethyl 2-(4-bromophenyl)-6-methyl-4-quinolinecarboxylate
VITAS-BB TBB014499 · SALOR-INT L208639-1EA · 2-(4-heptylphenyl)-2-oxoethyl 2-(4-bromophenyl)-6-methylquinoline-4-carboxylate · 2-(4-HEPTYLPHENYL)-2-OXOETHYL 2-(4-BROMOPHENYL)-6-METHYL-4-QUINOLINECARBOXYLATE · 4-Quinolinecarboxylic acid, 2-(4-bromophenyl)-6-methyl-, 2-(4-heptylphenyl)-2-oxoethyl ester
https://huagongshe.com/de/chemical/3696779
Identifikatoren & physikalische Daten
| CAS No. | 355429-20-8 |
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| Summenformel | C32H32BrNO3 |
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| Durchschnittliche Molmasse | 558,5 g/mol |
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| Monoisotopische Masse | 557,15656 g/mol |
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| SMILES | CCCCCCCc1ccc(C(=O)COC(=O)c2cc(-c3ccc(Br)cc3)nc3ccc(C)cc23)cc1 |
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| InChIKey | YPABWEUJSGRIAL-UHFFFAOYSA-N |
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| PubChem CID | 3696779 |
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| EC No. | 632-219-8 |
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Chemische & physikalische Eigenschaften
| XLogP | 9,7 |
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| Polarare Oberfläche (TPSA) | 56,3 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 12 |
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| Schwere Atome | 37 |
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| Formalladung | 0 |
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| Komplexität | 713 |
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| Siedepunkt | 703.7±60.0 °C(Predicted) |
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| Dichte | 1.258±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 1.92±0.33(Predicted) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH319 (97.4%): Causes serious eye irritation [Warning Serious eye damage/eye irritation]P264+P265, P273, P280, P305+P351+P338, P337+P317, 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 | Eye Irrit. 2 (97.4%) |
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| Alarmwort | Warnung |
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| Gefahrenhinweise | Code Gefahrenhinweise Gefahrenklasse Abteilung Alarmwort Symbol P-Code H319 |
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