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1,1,1-Trifluoraceton
TRIFLUOROACETONE · 1,1,1-TRIFLUORO-2-PROPANONE · CH3COCF3 · 1,1,1-trifluoro-propan-2-one · 2-Propanone, 1,1,1-trifluoro- · Methyl trifluoromethyl ketone · 1,1,1-TrifL · uoroacetone
Identifikatoren & physikalische Daten
| CAS No. | 421-50-1 |
|---|---|
| Summenformel | C3H3F3O |
| Durchschnittliche Molmasse | 112,05 g/mol |
| Monoisotopische Masse | 112,01359938 g/mol |
| SMILES | CC(=O)C(F)(F)F |
| InChIKey | FHUDAMLDXFJHJE-UHFFFAOYSA-N |
| PubChem CID | 9871 |
| EC No. | 207-005-9 |
| DTXSID | DTXSID9059963 |
| Lokaler Name | 1,1,1-Trifluoraceton |
Chemische & physikalische Eigenschaften
| XLogP | 1,1 |
|---|---|
| Polarare Oberfläche (TPSA) | 17,1 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 4 |
| Frei drehbare Bindungen | 0 |
| Schwere Atome | 7 |
| Formalladung | 0 |
| Komplexität | 82,7 |
| Stoffklassen | Other Classes -> Halogenated Ketones |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| SpringerMaterials Properties | Schoenflies notation |
| Dampfdruck | 728.0 [mmHg]13.62 psi ( 20 °C) |
| Physical Description | Clear colorless liquidbp = 22 deg C[Aldrich MSDS] |
| Schmelzpunkt | -78 °C |
| Siedepunkt | 22 °C(lit.) |
| Dichte | 1.252 g/mL at 25 °C(lit.) |
| Brechungsindex | n20/D 1.3(lit.) |
| Flammpunkt | −23 °F |
| Lagerbedingungen | 2-8°C |
| Löslichkeit | Chloroform, MethanolMiscible |
| Aggregatzustand | Liquid |
| Farbe | Clear colorless |
| BRN | 1748614 |
| Henry-Konstante | 1.4×100 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| Stabilität | Volatile |
| InChI | 1S/C3H3F3O/c1-2(7)3(4,5)6/h1H3 |
| InChIKey | FHUDAMLDXFJHJE-UHFFFAOYSA-N |
| SMILES | CC(=O)C(F)(F)F |
| CAS Datenbank | 421-50-1(CAS DataBase Reference) |
| NIST chemische Informationen | 2-Propanone, 1,1,1-trifluoro-(421-50-1) |
| EPA chemische Informationen | 2-Propanone, 1,1,1-trifluoro- (421-50-1) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH224 (100%): Extremely flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P271, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P332+P317, P337+P317, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 160 reports by companies from 10 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 04-03-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/247361,1,1-Trifluoroacetone: HSNO Approval: HSR006891 Approved with controls |
| Gefahrenübersicht | A skin and strong eye irritantA lachrymator[Aldrich MSDS] |
| Hazard Classes and Categories | Flam. Liq. 1 (100%) |
| Unerwünschte Wirkungen | Lacrimator (Lachrymator) - A substance that irritates the eyes and induces the flow of tears. |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 1993 3/PG 1 |
| Zollcode | 29147090 |
| R-Sätze (R) | 12-36/37/38 |
| Gefahrensymbole | F+,Xi,F |
| hazard_note | Flammable/Lachrymatory |
| Sicherheitshinweise (S) | 16-26-29-33-36-7/9-9-37/39-39 |
| Gefahrenklasse | 3Aquatic Chronic 3Eye Dam. 1Flam. Liq. 1Skin Corr. 1B |
| Verpackungsgruppe | I |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
1,1,1-Trifluoroacetone is used as intermediate of bioactive substance and antihypertensive drug, and as effective synthetic building block and trifluoromethyl reaction reagent.