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HCID 2777083Erstellt: 25. Oktober 2026
4,4,4-Trifluorobutanal
4,4,4-TRIFLUOROBUTANAL · 5,5,5-trifluoropentanal · 4,4,4-trifluorobutyralde · Butanal,4,4,4-trifluoro- · 4,4,4-Trifluorobutanal 95% · 3-(Trifluoromethyl)propanal · 4,4,4-Trifluorobutyraldehyde · 3,3,3-Trifluoropropanaldehyde
https://huagongshe.com/de/chemical/2777083
Identifikatoren & physikalische Daten
| CAS No. | 406-87-1 |
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| Summenformel | C4H5F3O |
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| Durchschnittliche Molmasse | 126,08 g/mol |
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| Monoisotopische Masse | 126,02924944 g/mol |
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| SMILES | O=CCCC(F)(F)F |
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| InChIKey | SCJCDNUXDWFVFI-UHFFFAOYSA-N |
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| PubChem CID | 2777083 |
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| EC No. | 691-630-0 |
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| DTXSID | DTXSID10380365 |
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Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
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| Polarare Oberfläche (TPSA) | 17,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 4 |
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| Frei drehbare Bindungen | 2 |
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| Schwere Atome | 8 |
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| Formalladung | 0 |
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| Komplexität | 75,8 |
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| Siedepunkt | 94-97°C |
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| Dichte | 1,2 g/cm3 |
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| Brechungsindex | 1.3387 (589.3 nm 25℃) |
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| Flammpunkt | -4° |
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| InChI | InChI=1S/C4H5F3O/c5-4(6,7)2-1-3-8/h3H,1-2H2 |
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| InChIKey | SCJCDNUXDWFVFI-UHFFFAOYSA-N |
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| SMILES | C(=O)CCC(F)(F)F |
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Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (33.3%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P319, P321, 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 6 reports by companies from 6 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. 2 (33.3%) |
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| UN-Transportnummer | UN1993 |
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| Zollcode | 29121900 |
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| R-Sätze (R) | 36/37/38-51-36-22 |
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| Gefahrensymbole | F,Xi,Xn |
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| hazard_note | Flammable |
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| Sicherheitshinweise (S) | 26-36 |
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| Gefahrenklasse | IRRITANT, FLAMMABLE |
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