HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 688183Erstellt: 27. Oktober 2026
N,N-Diethyl-3,6-difluorophthalamic acid
N,N-DIETHYL-3,6-DIFLUOROPHTHALAMIC ACID · 2-(Diethylcarbamoyl)-3,6-difluorobenzoic acid · N,N-diethyl-3,6-difluoroaminoformylbenzenemacetic acid · Benzoic acid, 2-[(diethylamino)carbonyl]-3,6-difluoro-
https://huagongshe.com/de/chemical/688183
Identifikatoren & physikalische Daten
| CAS No. | 131401-56-4 |
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| Summenformel | C12H13F2NO3 |
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| Durchschnittliche Molmasse | 257,23 g/mol |
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| Monoisotopische Masse | 257,0863496 g/mol |
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| SMILES | CCN(CC)C(=O)c1c(F)ccc(F)c1C(=O)O |
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| InChIKey | DYPGXWRGWRATMM-UHFFFAOYSA-N |
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| PubChem CID | 688183 |
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| EC No. | 622-866-4 |
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| DTXSID | DTXSID80350818 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,8 |
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| Polarare Oberfläche (TPSA) | 57,6 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 4 |
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| Schwere Atome | 18 |
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| Formalladung | 0 |
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| Komplexität | 320 |
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| Schmelzpunkt | 163-165 °C(lit.) |
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| Siedepunkt | 417.0±45.0 °C(Predicted) |
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| Dichte | 1.294±0.06 g/cm3(Predicted) |
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| Löslichkeit | methanol: soluble25mg/mL, clear, colorless |
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| pKa (Säurekonstante) | 2.36±0.36(Predicted) |
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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 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 | 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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