HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
HCID 136559Erstellt: 27. Oktober 2026
2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone
3-Trifluoromethyltrifluoroacetophenone · 3-TRIFLUOROMETHYL-A,A,A-TRIFLUOROACETOPHENONE · 2,2,2-Trifluoro-(trifluoroMethyl)acetophenone · 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone · 3-(Trifluoromethyl)phenyl(trifluoromethyl) ketone · 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone97% · 2,2,2-TRIFLUORO-1-(3-TRIFLUOROMETHYLPHENYL)ETHANONE · 2,2,2-Trifluoro-3'-(trifluoromethyl)acetophenone98%
https://huagongshe.com/de/chemical/136559
Identifikatoren & physikalische Daten
| CAS No. | 721-37-9 |
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| Summenformel | C9H4F6O |
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| Durchschnittliche Molmasse | 242,12 g/mol |
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| Monoisotopische Masse | 242,01663407 g/mol |
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| SMILES | O=C(c1cccc(C(F)(F)F)c1)C(F)(F)F |
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| InChIKey | MDCHHRZBYSSONX-UHFFFAOYSA-N |
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| PubChem CID | 136559 |
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| ChEMBL | CHEMBL86546 |
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| EC No. | 625-956-1 |
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| DTXSID | DTXSID00222422 |
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Chemische & physikalische Eigenschaften
| XLogP | 3,6 |
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| Polarare Oberfläche (TPSA) | 17,1 |
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| H-Brücken-Donoren | 0 |
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| H-Brücken-Akzeptoren | 7 |
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| Frei drehbare Bindungen | 1 |
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| Schwere Atome | 16 |
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| Formalladung | 0 |
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| Komplexität | 266 |
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| Schmelzpunkt | 76-77 °C |
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| Siedepunkt | 65-67 °C24 mm Hg(lit.) |
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| Dichte | 1.418 g/mL at 25 °C(lit.) |
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| Brechungsindex | n20/D 1.415(lit.) |
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| Flammpunkt | 139 °F |
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| Lagerbedingungen | 2-8°C |
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| Aggregatzustand | liquid |
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| Farbe | Clear, almost colourless (hint of peach) |
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| InChI | 1S/C9H4F6O/c10-8(11,12)6-3-1-2-5(4-6)7(16)9(13,14)15/h1-4H |
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| InChIKey | MDCHHRZBYSSONX-UHFFFAOYSA-N |
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| SMILES | FC(F)(F)C(=O)c1cccc(c1)C(F)(F)F |
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Sicherheit & Vorschriften
| GHS-Einstufung | WarningH226 (100%): Flammable liquid and vapor [Warning 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 40 reports by companies from 3 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 (100%) |
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| Wassergefährdungsklasse (WGK) | 3 |
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| UN-Transportnummer | UN 1224 3/PG 3 |
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| Zollcode | 2914790090 |
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| R-Sätze (R) | 36/37/38 |
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| Gefahrensymbole | Xi |
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| hazard_note | Irritant/Lachrymator |
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| Sicherheitshinweise (S) | 26-36 |
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| Gefahrenklasse | 3.2Eye Irrit. 2Flam. Liq. 3Skin Irrit. 2STOT SE 3 |
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| Verpackungsgruppe | III |
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| Lagerklasse | 3 - Flammable liquids |
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