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HCID 9905Erstellt: 27. Oktober 2026
2,2,2-Trifluoracetophenon
2,2,2-TRIFLUORO-1-PHENYLETHAN-1-ONE · 2,2,2-TRIFLUOROACETOPHENONE · 2,2,2-TRIFLUORO-1-PHENYLETHANONE · 1,1,1-Trifluoroacetophenone · Trifluoromethyl phenyl ketone · A,A,A-TRIFLUOROACETOPHENONE · NSC 42752 · TRIFLUOROACETOPHENONE
https://huagongshe.com/de/chemical/9905
Identifikatoren & physikalische Daten
| CAS No. | 434-45-7 |
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| Summenformel | C8H5F3O |
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| Durchschnittliche Molmasse | 174,12 g/mol |
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| Monoisotopische Masse | 174,02924944 g/mol |
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| SMILES | O=C(c1ccccc1)C(F)(F)F |
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| InChIKey | KZJRKRQSDZGHEC-UHFFFAOYSA-N |
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| PubChem CID | 9905 |
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| ChEMBL | CHEMBL293277 |
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| EC No. | 207-103-1 |
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| DTXSID | DTXSID6059992 |
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| Lokaler Name | 2,2,2-Trifluoracetophenon |
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Chemische & physikalische Eigenschaften
| XLogP | 2,1 |
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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 | 1 |
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| Schwere Atome | 12 |
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| Formalladung | 0 |
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| Komplexität | 168 |
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| Stoffklassen | Toxic Gases & Vapors -> Tear Gas Agents |
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| SpringerMaterials Properties | Boiling point |
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| LogP (Verteilungskoeffizient) | 2.15 |
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| Dampfdruck | 1.22 [mmHg] |
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| Physical Description | Colorless liquid[Alfa Aesar MSDS] |
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| Schmelzpunkt | -40 °C |
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| Siedepunkt | 165-166 °C (lit.) 46-48 °C/14 mmHg (lit.) |
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| Dichte | 1.24 g/mL at 25 °C (lit.) |
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| Brechungsindex | n20/D 1.458(lit.) |
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| Flammpunkt | 107 °F |
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| Lagerbedingungen | Sealed in dry,Room Temperature |
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| Löslichkeit | Chloroform, Ethyl AcetatePRACTICALLY INSOLUBLE |
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| Aggregatzustand | Liquid |
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| Wichte | 1.240 |
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| Farbe | Clear colorless to yellow |
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| BRN | 1866286 |
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| InChI | 1S/C8H5F3O/c9-8(10,11)7(12)6-4-2-1-3-5-6/h1-5H |
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| InChIKey | KZJRKRQSDZGHEC-UHFFFAOYSA-N |
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| SMILES | FC(F)(F)C(=O)c1ccccc1 |
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| CAS Datenbank | 434-45-7(CAS DataBase Reference) |
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| NIST chemische Informationen | Ethanone, 2,2,2-trifluoro-1-phenyl-(434-45-7) |
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| EPA chemische Informationen | Ethanone, 2,2,2-trifluoro-1-phenyl- (434-45-7) |
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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 56 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
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| Regulatorische Informationen | 2,2,2-Trifluoroacetophenone: Does not have an individual approval but may be used under an appropriate group standard |
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| Gefahrenübersicht | An irritant and lachrymator[Alfa Aesar MSDS] See alpha-Chloroacetophenone. |
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| Hazard Classes and Categories | Flam. Liq. 3 (100%) |
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| Unerwünschte Wirkungen | Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears. |
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| Wassergefährdungsklasse (WGK) | 3 |
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| TSCA-Inventar-Status | TSCA listed |
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| UN-Transportnummer | UN 1224 3/PG 3 |
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| Zollcode | 29147090 |
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| R-Sätze (R) | 10-36/37/38 |
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| Gefahrensymbole | Xi,F |
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| hazard_note | Corrosive/Lachrymatory |
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| Sicherheitshinweise (S) | 26-36-37/39-16 |
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| Gefahrenklasse | 3Eye 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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