HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 9533921Erstellt: 4. November 2026
1-(2,2,2-Trifluoroethyl)piperazine
Piperazine, 1-(2,2,2-trifluoroethyl)- · 1-(2,2,2-trifluoroethyl)piperazine - [T82358]
https://huagongshe.com/de/chemical/9533921
Identifikatoren & physikalische Daten
| CAS No. | 13349-90-1 |
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| Summenformel | C6H11F3N2 |
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| Durchschnittliche Molmasse | 168,16 g/mol |
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| Monoisotopische Masse | 168,08743301 g/mol |
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| SMILES | FC(F)(F)CN1CCNCC1 |
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| InChIKey | GFPOCAYEKCWFPD-UHFFFAOYSA-N |
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| PubChem CID | 9533921 |
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| EC No. | 801-935-4 |
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| DTXSID | DTXSID50429469 |
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Chemische & physikalische Eigenschaften
| XLogP | 0,7 |
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| Polarare Oberfläche (TPSA) | 15,3 |
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| H-Brücken-Donoren | 1 |
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| H-Brücken-Akzeptoren | 5 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 11 |
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| Formalladung | 0 |
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| Komplexität | 117 |
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| Siedepunkt | 151-152 °C |
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| Dichte | 1.139±0.06 g/cm3(Predicted) |
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| Lagerbedingungen | Keep in dark place,Inert atmosphere,Room temperature |
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| pKa (Säurekonstante) | 8.85±0.10(Predicted) |
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| InChI | InChI=1S/C6H11F3N2/c7-6(8,9)5-11-3-1-10-2-4-11/h10H,1-5H2 |
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| InChIKey | GFPOCAYEKCWFPD-UHFFFAOYSA-N |
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| SMILES | N1(CC(F)(F)F)CCNCC1 |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH226 (66.7%): Flammable liquid and vapor [Warning Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 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 | Flam. Liq. 3 (66.7%) |
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| Zollcode | 2921309990 |
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