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Methyltrifluoracetat
Methyl 2,2,2-trifluoroacetate · TFAME · Methyl trifluoroacet · Methyltrifluoracetat · Mthyl trifluoroacetate · METHYL TRIFLUOROACETATE · Methyletrifluoroacetate · Methyl perfluoroacetate
Identifikatoren & physikalische Daten
| CAS No. | 431-47-0 |
|---|---|
| Summenformel | C3H3F3O2 |
| Durchschnittliche Molmasse | 128,05 g/mol |
| Monoisotopische Masse | 128,008514 g/mol |
| SMILES | COC(=O)C(F)(F)F |
| InChIKey | VMVNZNXAVJHNDJ-UHFFFAOYSA-N |
| PubChem CID | 9893 |
| EC No. | 207-074-5 |
| DTXSID | DTXSID2059988 |
| Lokaler Name | Methyltrifluoracetat |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 26,3 |
| H-Brücken-Donoren | 0 |
| H-Brücken-Akzeptoren | 5 |
| Frei drehbare Bindungen | 1 |
| Schwere Atome | 8 |
| Formalladung | 0 |
| Komplexität | 95,2 |
| Stoffklassen | Other Classes -> Halogenated Esters |
| PFAS | PFAS -> PFAS identified in REACH Regulation EC No. 1272/2008 |
| SpringerMaterials Properties | Chemical shift |
| LogP (Verteilungskoeffizient) | 0.6 |
| Dampfdruck | 538.0 [mmHg]5.77 psi ( 20 °C) |
| Physical Description | Clear colorless liquid[Sigma-Aldrich MSDS] |
| Schmelzpunkt | -78 °C |
| Siedepunkt | 43-43.5 °C (lit.) |
| Dichte | 1.273 g/mL at 25 °C (lit.) |
| Brechungsindex | n20/D 1.291(lit.) |
| Flammpunkt | 19 °F |
| Lagerbedingungen | Inert atmosphere,2-8°C |
| Löslichkeit | 8g/l8 g/L |
| Aggregatzustand | Liquid |
| Wichte | 1.273 |
| Farbe | Clear colorless |
| pH | 7 (8g/l, H2O, 20℃) |
| Explosionsgrenze | 6.1-24.8%(V) |
| BRN | 1756070 |
| Henry-Konstante | 1.1×10-3 mol/(m3Pa) at 25℃, Burkholder et al. (2019) |
| Dielektrizitätskonstante | 11.460000000000001 |
| Stabilität | Volatile |
| InChI | 1S/C3H3F3O2/c1-8-2(7)3(4,5)6/h1H3 |
| InChIKey | VMVNZNXAVJHNDJ-UHFFFAOYSA-N |
| SMILES | COC(=O)C(F)(F)F |
| LogP (Verteilungskoeffizient) | 0.6 |
| CAS Datenbank | 431-47-0(CAS DataBase Reference) |
| NIST chemische Informationen | CF3C(O)OCH3(431-47-0) |
| EPA chemische Informationen | Acetic acid, trifluoro-, methyl ester (431-47-0) |
Sicherheit & Vorschriften
| GHS-Einstufung | DangerH225 (98%): Highly Flammable liquid and vapor [Danger Flammable liquids]P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P272, P273, P280, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P333+P317, P362+P364, P363, P370+P378, P391, P403+P235, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 102 reports by companies from 9 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Regulatorische Informationen | Status: Active Update: 08-05-2023 https://echa.europa.eu/registration-dossier/-/registered-dossier/17397Methyl trifluoroacetate: Does not have an individual approval but may be used under an appropriate group standard |
| Gefahrenübersicht | Causes burns and lachrymationInhalation may cause corrosive injuries to upper respiratory tract and lungs[Sigma-Aldrich MSDS] See Ethyl trifluoroacetate. |
| Hazard Classes and Categories | Flam. Liq. 2 (98%) |
| Unerwünschte Wirkungen | Dermatotoxin - Skin burns. |
| F | 19 |
| Wassergefährdungsklasse (WGK) | 1 |
| TSCA-Inventar-Status | TSCA listed |
| UN-Transportnummer | UN 2924 3/PG 2 |
| Zollcode | 29159080 |
| R-Sätze (R) | 11-34 |
| Gefahrensymbole | F,C |
| hazard_note | Flammable/Corrosive |
| Sicherheitshinweise (S) | 16-26-36/37/39-45 |
| Gefahrenklasse | 3Flam. Liq. 2Skin Corr. 1B |
| Verpackungsgruppe | II |
| Lagerklasse | 3 - Flammable liquids |
Anwendungen & Verwendung
Verwenden
Methyl trifluoroacetate has been used as reagent for trifluoroacetylation of amines and amino acids.