N-Methyl-N-(trimethylsilyl)trifluoracetamid
N-methyl-N-(trimethylsilyl)trifluoroacetamide
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Grundinformationen
- CAS
24589-78-4- Standard-SMILES
CN(C(=O)C(F)(F)F)[Si](C)(C)C- InChIKey
MSPCIZMDDUQPGJ-UHFFFAOYSA-N- Summenformel
- C6H12F3NOSi
- Durchschnittliche Molmasse
- 199,25 g/mol
- Monoisotopische Masse
- 199,06402519
Überblick
N-methyl-N-(trimethylsilyl)trifluoroacetamide is an N-silyl compound that is N-methyltrifluoroacetamide in which the amide nitrogen is replaced by a trimethylsilyl group. N-methyl-N-(trimethylsilyl)trifluoroacetamide is a derivatisation agent used in gas chromatography/mass spectrometry applications. It has a role as a chromatographic reagent. It is a trifluoroacetamide, a monocarboxylic acid amide and a N-silyl compound.
Namen und Bezeichner
- Bevorzugter Name
- N-methyl-N-(trimethylsilyl)trifluoroacetamide
- IUPAC
- 2,2,2-trifluoro-N-methyl-N-trimethylsilylacetamide
- Lokaler Name
- N-Methyl-N-(trimethylsilyl)trifluoracetamid
- Englischer Name
- N-Methyl-N-(trimethylsilyl)trifluoroacetamide
- Summenformel
- C6H12F3NOSi
- Molmasse
- 199.25
Namen und Synonyme
24589-78-4N-Methyl-N-(trimethylsilyl)trifluoroacetamideMSTFAN-Methyl-N-trimethylsilyltrifluoroacetamideACETAMIDE, 2,2,2-TRIFLUORO-N-METHYL-N-(TRIMETHYLSILYL)-DTXSID5067003CHEBI:85064N-methyl(trimethylsilyl)trifluoroacetamideRefChem:830619DTXCID5037101246-331-62,2,2-Trifluoro-N-methyl-N-(trimethylsilyl)acetamide
Weitere Namen anzeigen
N-METHYL-N-TRIMETHYLSILYLTRIFLUOROACETAMIDE ACTIVATED IIIDK232M813248MSTFA MSTFAMSTFA ReagentMSTFA ACTIVATED IMSTFA+TMCS (99:1)MSTFA ACTIVATED IIMSTFA ACTIVATED III
MFCD000004112,2,2-trifluoro-N-methyl-N-trimethylsilylacetamideC6H12F3NOSiEINECS 246-331-6MSTFA; N-Methyl-N-(trimethylsilyl)trifluoroacetamideNSC 339701BRN 1941550N-METHYL-N-(TRIMETHYLSILYL)-TRIFLUOROACETAMIDE
Eigenschaften
Berechnete StruktureigenschaftenWird ergänzt
- Polarare Oberfläche (TPSA)
- 20,3 Ų
- H-Brücken-Donoren
- 0
- H-Brücken-Akzeptoren
- 4
- Frei drehbare Bindungen
- 1
- Schwere Atome
- 12
- Formalladung
- 0
- Komplexität
- 184
Experimentelle und physikochemische Eigenschaften
Chemical ClassesMetals -> Metalloid Compounds (Silicon)
SpringerMaterials Properties29Si nuclear magnetic resonance spectrum
Physical DescriptionColorless liquid; [Sigma-Aldrich MSDS]
Physikochemische Eigenschaften
- Schmelzpunkt
- 98 · 98-100°C
- Siedepunkt
- 130132 °C · 130132°C
- Dichte
- 1.075 g/mL · 1.075 g/mL at 25 °C(lit.)
- Dampfdichte
- 1 · >1 (vs air)
- Dampfdruck
- 8.8 mm · 8.8 mm Hg ( 27 °C)
- Brechungsindex
- 20 · n20/D 1.383
- Flammpunkt
- 77 °F · 77 °F
- storage temp.
- 2 · 2-8°C
- Löslichkeit
- Chloroform (Slightly), Ethyl Acetate (Slightly)
- Aggregatzustand
Sicherheit und Regulatorisches
Sicherheitsangaben dienen nur zur Orientierung und ersetzen weder das Sicherheitsdatenblatt (SDB) des Lieferanten noch geltende Vorschriften oder eine fachliche Bewertung.
GHS-Klassifizierung
GHS Classification
Warning
H226 (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 59 reports by companies from 11 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Gefahrenhinweise
Regulatory Information
Chemical: Acetamide, 2,2,2-trifluoro-N-methyl-N-(trimethylsilyl)-
2,2,2-Trifluoro-N-methyl-N-(trimethylsilyl) acetamide: Does not have an individual approval but may be used under an appropriate group standard
Hazards Summary
Causes decreased immune response in intraperitoneal lethal-dose studies of mice (LDLo = 1,000 mg/kg); [RTECS] A skin and strong eye irritant; [Sigma-Aldrich MSDS] See N-Methyl-N-(tert-butyldimethylsilyl)trifluoroacetamide. See N-Methyl-bis(trifluoroacetamide).
Hazard Classes and CategoriesFlam. Liq. 3 (100%)
Sicherheitsdaten
- F
- 10-21
- wgk
- 3
- tsca
- TSCA listed
- ridadr
- UN 1993 3/PG 3
- hs_code
- 29319090
- RTECS-Nr.
- AC9800000
- risk_code
Chemie und Industrie
Verwendung und Herstellung
Uses
Derivatization, especially silylation, is commonly used to identify and quantify both known and unknown compounds using GC-MS. It is not limited to small molecules. Even peptides can be silylated, especially when the introduction of deuterium is desired. N-Methyl-N-(trimethylsilyl)trifluoroacetamide (MSTFA) is a very versatile reagent because it can be used to derivatize many of the functional groups commonly found in organic compounds. It operates by attachment of a nonpolar trimethylsilyl (TMS) group. [Sigma-Aldrich]
General Manufacturing InformationAcetamide, 2,2,2-trifluoro-N-methyl-N-(trimethylsilyl)-: ACTIVE
Anwendungen
VerwendenN-Methyl-N-(trimethylsilyl)trifluoroacetamide is used as a silylating reagent that forms volatile derivatives for GC-MS analysis. It acts as a pharmaceutical intermediate and metabolite of Famprofazone in humans. It is also used in the detection of steroid hormones 17-alfa-ethynylestradiol and estrone.
Vor- und nachgelagerte Produkte
Vorgelagerte Rohstoffe
Ergänzende Hinweise
DefinitionChEBI: An N-silyl compound that is N-methyltrifluoroacetamide in which the amide nitrogen is replaced by a trimethylsilyl group. N-methyl-N-(trimethylsilyl)trifluoroacetamide is a derivat sation agent used in gas chromatography/mass spectrometry applications.
Zugehörige Reaktionen
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Notizen zur Verbindung
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