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HCID 5140913Erstellt: 27. Oktober 2026
Ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate
Valine Impurity 126 · 1-ETHYL-6 7 8-TRIFLUORO-4-OXOHYDROQUINO& · Ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-c · 1-ethyl-6,7,8-trifluoro-4-oxo-3-quinolinecarboxylic acid ethyl ester · ethyl 1-ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxoquinoline-3-carboxylate · Ethyl 1-Ethyl-6,7,8-trifluoro-1,4-dihydro-4-oxo-3-quinolinecarboxylate · 1-Ethyl-6,7,8-trifluoro-4-oxohydroquinone-3-carboxylic acid ethyl ester · ETHYL-6,7,8-TRIFLUORO-N-ETHYL-2,5-THIHYDRO-4-OXO-3-QUINOLINE CARBOXYLATE
https://huagongshe.com/de/chemical/5140913
Identifikatoren & physikalische Daten
| CAS No. | 100501-62-0 |
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| Summenformel | C14H12F3NO3 |
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| Durchschnittliche Molmasse | 299,24 g/mol |
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| Monoisotopische Masse | 299,0769279 g/mol |
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| SMILES | CCOC(=O)c1cn(CC)c2c(F)c(F)c(F)cc2c1=O |
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| InChIKey | LWLLHOVWIFISMG-UHFFFAOYSA-N |
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| PubChem CID | 5140913 |
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| ChEMBL | CHEMBL5573317 |
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| EC No. | 405-880-3 |
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| DTXSID | DTXSID80408707 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,9 |
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| Polarare Oberfläche (TPSA) | 46,6 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 7 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 21 |
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| Formalladung | 0 |
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| Komplexität | 468 |
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| PFAS | PFAS -> Suspected persistent, mobile, toxic (PMT) PFAS or PFAS-like compounds |
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| Schmelzpunkt | 204-208 °C |
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| Siedepunkt | 392.3±42.0 °C(Predicted) |
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| Dichte | 1.363±0.06 g/cm3(Predicted) |
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| pKa (Säurekonstante) | 0.18±0.70(Predicted) |
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| Aggregatzustand | powder to crystal |
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| Farbe | White to Almost white |
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| InChI | 1S/C14H12F3NO3/c1-3-18-6-8(14(20)21-4-2)13(19)7-5-9(15)10(16)11(17)12(7)18/h5-6H,3-4H2,1-2H3 |
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| InChIKey | LWLLHOVWIFISMG-UHFFFAOYSA-N |
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| SMILES | CCOC(=O)C1=CN(CC)c2c(F)c(F)c(F)cc2C1=O |
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| CAS Datenbank | 100501-62-0(CAS DataBase Reference) |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH317: May cause an allergic skin reaction [Warning Sensitization, Skin]P261, P272, P273, P280, P302+P352, P321, P333+P317, P362+P364, and P501 (click each P-code to see the statement)H317 (100%): May cause an allergic skin reaction [Warning Sensitization, Skin] |
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| Regulatorische Informationen | Status: Active Update: 26-05-2014 https://echa.europa.eu/registration-dossier/-/registered-dossier/6641 |
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| Hazard Classes and Categories | Skin Sens. 1B (100%)Skin Sens. 1 (100%)Skin sensitisation - category 1 |
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| Wassergefährdungsklasse (WGK) | 2 |
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| Zollcode | 2933.99.8290 |
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| R-Sätze (R) | 43-52/53 |
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| Gefahrensymbole | Xi |
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| Sicherheitshinweise (S) | 24-37-61 |
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| Lagerklasse | 11 - Combustible Solids |
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| Gefahrenklasse | Aquatic Chronic 3Skin Sens. 1 |
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